6-Methyl-2-thiouracil 甲基硫脲嘧啶

CAS 56-04-2 MFCD00006040

化学结构图

56-04-2
SMILES:

化学属性

Mol. FormulaC5H6N2OS
Mol. Weight142.18
Melting Point329°C
TSCAYes
SolubilityDMSO 28 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
Density1.36
Appearance 白色结晶。在326-331℃分解。易溶于氨溶液及氢氧化钠溶液,微溶于醇和丙酮,极微溶于水和醚,不溶于苯和氯仿。饱和水溶液对石蕊呈中性或微酸性。无气味,味苦,易升华。
Boiling Point342.3°C at 760 mmHg

别名和识别编码

Chemical Name6-Methyl-2-thiouracil
CAS Number56-04-2
Alfabeta NameMETHYLTHIOURACIL 62---
MDL NumberMFCD00006040
Synonym Methylthiouracil {LY} Methylthiouracil {} {LY} Methylthiouracil {} {} {LY} Methylthiouracil {} {} {} {LY} Methylthiouracil {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methylthiouracil {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87572500
EC Number200-252-3
Beilstein Registry Number115648
Merck Number6128
Reaxys-RN115648
Chemical Name Translation甲基硫脲嘧啶
Wiswesser Line NotationT6MYMVJ BUS F1
LabNetwork Molecule IDLN00173390
Canonical SMILESO=C(C=C(C)N1)NC1=S
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Antibiotics, Chemical Structure, Chromatography, Clinical Standards,
  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Antibiotics, Chemical Structure, Chromatography,
  • {SNA} Additional Standards, Analytical Standards, Antibiotics Standards, Chemical Structure, Chromatography, Clinical Standards, Other Standards by Chemical Structure, Pharmaceuticals, Illicit Drugs & Alcohol, 分析/色谱
  • {S

产品应用

  • 心血管药物潘生丁的中间体。

相关文献及参考

  • Merck:14,6128
  • Merck:14,6128 Beilstein:24(3/4)1289

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H351 Suspected of causing cancer 怀疑致癌
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSYR0875000
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312+P330
  • P305+P351+P338
  • P308+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • 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);
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Hazard Codes Xn Xn,Xi
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 196 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            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 27783 mg/kg/60W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Endocrine - thyroid tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   4,223,1950

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 9100 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Endocrine - thyroid tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   19,870,1959

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 53750 mg/kg/65W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Endocrine - thyroid tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   7,181,1953

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,963,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 157,659,1946

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 920 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
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: 13,882,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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 U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 10 mg/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   KAIZAN Kaibogaku Zasshi.  Journal of Anatomy.  (Nippon Kaibo Gakkai, c/o
   Tokyo Daigaku Igakubu, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113, Japan)  V.1- 1928-
    Volume(issue)/page/year: 42,90,1967

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 900 mg/kg
SEX/DURATION            : female 1-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - endocrine system
REFERENCE :
   OSDIAF Osaka Shiritsu Daigaku Igaku Zasshi.  Journal of the Osaka City
   Medical Center.  (Osaka, Japan)  V.4-23, 1955-74.  For publisher
   information, see OIGZDE.  Volume(issue)/page/year: 8,1281,1959

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 375 mg/kg
SEX/DURATION            : female 10-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   ZYDXEN Zhongguo Yike Daxue Xuebao.  Journal of China Medical University.
   (China International Book Trading Corp. POB 399, Beijing 100044, Peop. Rep.
   China)  V.1-    19??-m/*  Volume(issue)/page/year: 21,349,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES

其他信息

  • 用途一:心血管药物潘生丁的中间体。
  • 上游原料:碳酸钠 --> 氧化钠
  • 方法一:由乙酰乙酸乙酯与硫脲反应而得。将硫脲溶解于氢氧化钠溶液中,滴加乙酰乙酸乙酯,控制温度在37℃以下。反应2h后,加水和活性炭,在70-80℃脱色0.5h。过滤,滤液用盐酸酸化至pH4-5,冷却至室温,过滤,洗涤。滤饼用水重结晶,得成品。收率66%。生产中,也可先将乙酰乙酸乙酯和硫脲混合,再滴加氧化钠溶液;还可用无水碳酸钠代替氢氧化钠,收率大致相同。
  • Sigma Aldrich:56-04-2(sigmaaldrich)
  • 在326-331℃分解,易溶于氨溶液及氢氧化钠溶液,微溶于醇、醚和丙酮,极微溶于水和醚,不溶于苯和氯仿,饱和水溶液对石蕊呈中性或微酸性,无气味,味苦,易升华。
  • TCI Shanghai:6-甲基-2-硫尿嘧啶 6-Methyl-2-thiouracil,>;98.0%(T)(56-04-2)
  • 图谱信息:甲基硫脲嘧啶(56-04-2)红外图谱(IR1) 甲基硫脲嘧啶(56-04-2)红外图谱(IR2) 甲基硫脲嘧啶(56-04-2)质谱(MS) 甲基硫脲嘧啶(56-04-2)核磁图( 1 HNMR)
  • Hazard Note:Irritant/Possible Carcinogen
  • 海关编码:29335995
  • 检测方法:HPLC
  • MOL 文件:56-04-2.mol
  • Alfa Aesar:4-羟基-2-巯基-6-甲基嘧啶,98% 6-Methyl-2-thiouracil, 98%(56-04-2)
  • 存储注意事项:光敏感
  • MSDS 信息:Methylthiouracil(56-04-2).msds
  • Acros Organics:4-羟基-2-巯基-6-甲基嘧啶 4-Hydroxy-2-mercapto-6-methylpyrimidine, 98%(56-04-2)
  • 甲基硫脲嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0443 6-甲基-2-硫尿嘧啶 6-Methyl-2-thiouracil 500G 1940元 2014/06/02 M0443 6-甲基-2-硫尿嘧啶 6-Methyl-2-thiouracil 25G 253元 2010/06/21 121301000 甲基硫脲嘧啶 4-Hydroxy-2-mercapto-6-methylpyrimidine 98% 100 GR 292元

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