1-Methyl-1H-imidazole-2(3H)-thione N-甲基-2-咪唑硫酮

CAS 60-56-0 MFCD00179321

化学结构图

60-56-0
SMILES: Cn1ccnc1S

化学属性

Mol. FormulaC4H6N2S
Mol. Weight114
Density1.28
Melting Point144-147
SolubilitySoluble in DMSO (23 mg/ml at 25 °C), ethanol (23 mg/ml at 25 °C), chloroform (~222.22 mg/ml), water (~200 mg/ml), and methanol.
TSCAYes
Boiling Point280°C
Flash Point280°C

别名和识别编码

Chemical Name1-Methyl-1H-imidazole-2(3H)-thione
Synonym 1,3-dihydro-1-methyl-2H-Imidazole-2-thione 1,3-二氢-1-甲基-2H-咪唑-2-硫酮 1-METHYL-1H-IMIDAZOLE-2-THIOL 1-METHYL-2-MERCAPTOIMIDAZOLE 1-METHYLIMIDAZOLE-2-THIOL 1-Methyl-2-mercaptoimidazole 1-Methylimidazole-2-thiol 1-Metylo 2 merkaptoimidazolem 1-甲基-2-咪唑硫醇 2-巯基-1-甲基咪唑 1-甲基咪唑-2-硫醇 2-MERCAPTO-1-METHYLIMIDAZOLE 2-METHOXYCARBONYLAMINO-5-ISOPROPYLTHIO-1 H-BENZIMIDAZOLE 2-巯基-1-甲基咪唑(甲硫咪唑) AKOS BBS-00004622 Danantizol Mercaptazole Mercazolyl Methimazole Methimazole, 1-Methylimidazole-2-thiol, Thiamazole Methylmercaptoimidazole TAPAZOLE Thacapzol Thiamazole {} {} {Chemic 甲巯基咪唑 甲巯基咪唑(他巴唑) 甲硫噻唑
MDL NumberMFCD00179321
CAS Number60-56-0
EC Number200-482-4
Beilstein Registry Number108646
PubChem Substance ID1349907
Merck Number5971
Chemical Name TranslationN-甲基-2-咪唑硫酮
Reaxys-RN742273
Wiswesser Line NotationT5N CNJ A BSH
LabNetwork Molecule IDLN00236973
InChIInChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
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分类

  • {SNA} Analytical S
  • {SNA} Building Blocks, C3 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Imidazoles
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards S - T, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • {SNA} Analytical Standards,
  • {SNA} Alphabetical Index of Analytical Standards,
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Antibiotics, Chemical Structure, Chromatography, Clinical Standards, M, META - METH, Others, Standards for Personal Care and Cosmetic Products, neats, prohibited substances (EU-REGULATION No 1223/2009), 分析/色谱

产品应用

  • 用于甲亢原料药。

相关文献及参考

  • Merck: 14,5971 Beilstein:24,17

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S37 Wear suitable gloves 戴适当手套；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P333+P313+P362+P364
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSNI8615000
Hazard Codes Xn 
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2700 mg/kg/26W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Endocrine - thyroid tumors
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 174,268,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 33 gm/kg/1Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Endocrine - thyroid tumors
REFERENCE :
   CANCAR Cancer (Philadelphia).  (Lippincott/Harper, Journal Fulfillment
   Dept., 2350 Virginia Ave., Hagerstown, MD 21740)  V.1-    1948-
   Volume(issue)/page/year: 40,2188,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1100 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Endocrine - thyroid tumors
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 11,649,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2250 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 4,20,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1050 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 14,54,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 860 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 4,20,1954

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 2500 ug/L
REFERENCE :
   HUMAA7 Humangenetik.  (Heidelberg, Fed. Rep. Ger.)  V.1-30, 1964-75.  For
   publisher information, see HUGEDQ.  Volume(issue)/page/year: 26,155,1975

TYPE OF TEST            : Sister chromatid exchange
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 28 mg/kg/2W (Continuous)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 326,193,1995

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - mouse Mammary gland
DOSE/DURATION           : 3200 umol/L/24H (Continuous)
REFERENCE :
   JTSCDR Journal of Toxicological Sciences.  (Japanese Soc. of Toxicological
   Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku,
   Tokyo 113, Japan)  V.1-    1976-  Volume(issue)/page/year: 5,141,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 567 mg/kg
SEX/DURATION            : female 17-22 day(s) after conception
                          lactating female 10 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - physical
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   63,133,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 320 mg/kg
SEX/DURATION            : female 17-22 day(s) after conception
                          lactating female 10 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
   Reproductive - Specific Developmental Abnormalities - endocrine system
REFERENCE :
   APTOD9 Abstracts of Papers, Society of Toxicology.  Annual Meetings.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)
   Volume(issue)/page/year: 19,A30,1980

{hazard_

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 320 mg/kg
SEX/DURATION            : female 16-21 day(s) after conception
                          lactating female 10 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 27,71A,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE

其他信息

  • 海关编码:29332990
  • Alfa Aesar:2-巯基-1-甲基咪唑,98% 2-Mercapto-1-methylimidazole, 98%(60-56-0)
  • Sigma Aldrich:60-56-0(sigmaaldrich)
  • 用途二:用于甲亢原料药。
  • MSDS 信息:Methimazole(60-56-0).msds
  • A JAK/STAT signaling pathway inhibitor
  • Acros Organics:2-巯基-1-甲基咪唑 2-Mercapto-1-methylimidazole, 98%(60-56-0)
  • 易溶于水，溶于乙醇、氯仿，微溶于乙醚、苯。
  • MOL 文件:60-56-0.mol
  • TCI Shanghai:2-巯基-1-甲基咪唑 2-Mercapto-1-methylimidazole,>;98.0%(LC)(T)(60-56-0)
  • 检测方法:HPLC、NMR
  • 外观性质:易溶于水，溶于乙醇、氯仿，微溶于乙醚、苯。熔点: 145 °C沸点: 280 °C
  • 上游原料:一甲胺 --> 硫氰酸钾 --> 异硫氰酸甲酯 --> 氨基乙醛缩二乙醇
  • 方法一:以氨基乙醛缩二乙醇与异硫氰酸甲酯反应制取。亦可从硫氰酸与N-取代的氨基乙缩醛反应制取。亦可从硫氰酸与N-取代的氨基乙缩醛反应制取。
  • 咪唑类抗甲状腺药:甲巯咪唑 是一种咪唑类抗甲状腺药，不是激素类药，市场上的商品俗称为他巴唑、甲硫咪唑、甲硫噻唑，主要用于治疗甲状腺机能亢进，通过抑制过氧化酶系统，阻碍甲状腺素（T4）和三碘甲状腺原氨酸（T3）的合成，动物实验观察到可抑制B淋巴细胞合成抗体，降低血循环中甲状腺刺激性抗体的水平，使抑制性T细胞功能恢复正常，适用于多种因素所致甲状腺机能亢进。与其它各种药物（丙硫氧嘧啶）一样，在服用期间也有一些不良反应。其中包括血液系统不良反应，主要为粒细胞缺乏、造血功能停滞或障碍、血小板减少、凝血酶原减少或因子VII减少；长期用药还可能导致肝损害，表现为胆汁瘀积型黄疸和中毒性肝炎；另有皮肤反应如脱发、皮肤瘙痒、药疹、皮炎、红斑狼疮、以及其他一些少见不良反应。另外甲巯咪唑也可使凝血酶原时间延长，并使血清碱性磷酸酶、门冬氨酸氨基转移酶（AST）和丙氨酸氨基转移酶（ALT）增高和引起血胆红素及血乳酸脱氢酶升高。所以患者在服药期间要定期化验血项，检测肝功能和外周血白细胞数。
  • 用途一:甲亢平的中间体。
  • 甲巯咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0868 2-巯基-1-甲基咪唑 2-Mercapto-1-methylimidazole 25G 384元 2010/06/21 125500250 甲巯咪唑 2-Mercapto-1-methylimidazole 98% 25 GR 483元 2010/06/21 125501000 甲巯咪唑 2-Mercapto-1-methylimidazole 98% 100 GR 1484元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Homopiperidines 同哌啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  5. C3 to C8 - Imidazoles

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