N-ACETYLTHIOUREA 乙酰替硫脲

CAS 591-08-2 MFCD00004937

化学结构图

591-08-2
SMILES: CC(=O)NC(N)=S

化学属性

Mol. FormulaC3H6N2OS
Mol. Weight118.16
Melting Point164-165ºC
TSCAYes
Appearance 浅黄色结晶。熔点165℃，溶于热水，乙醇，氢氧化钠稀溶液，微溶于冷水和乙醚。
Boiling Point

别名和识别编码

Chemical NameN-ACETYLTHIOUREA
Synonym 1-ACETYL-2-THIOUREA 1-ACETYLTHIOUREA 1-Acetyl-2-thiocarbamide 1-Acetyl-2-thiourea 1-Acetylthiourea 1-acetyl-2-thio-ure 1-乙酰-2-硫脲 ACETYLTHIOUREA Acetamide, N-(aminothioxomethyl)- Acetothiourea Acetyl thiourea Acetyl-thiourea Acetylthiocarbamide LABOTEST-BB LT00000307 N-(Thiocar-hamyl)acetamide N-(胺甲硫羰醯胺)乙醯胺 N-ACETYLTHIOUREA N-Acetyl-2-thiourea N-Acetylthiocarbamide N-Acetylthioharnstoff N-Acetylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87561811
EC Number209-699-9
Beilstein Registry Number3(4)354
MDL NumberMFCD00004937
CAS Number591-08-2
Chemical Name Translation乙酰替硫脲
Wiswesser Line NotationSUYZMV1
LabNetwork Molecule IDLN00841300
Reaxys-RN969960
InChIInChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
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分类

  • {uni_hamburg} no charge; amide; 1fragment
  • {SA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thioureas
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thioureas

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H300 Fatal if swallowed 吞食致命
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSYR7700000
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。
  • 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。
  • P301+P310
  • P301+P310+P330
  • 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 Danger
Safety Statements
  • 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）；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Packing GroupII
UN Number 2811 UN 2811 6.1/PG 2 UN2811
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
Hazard Codes T
Hazard Class6.1
Restrict 剧毒化学品
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 90,260,1947

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 97,478,1949

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 94 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 14,111,1985

Storage condition -20 -20°C -20℃

其他信息

  • MOL 文件:591-08-2.mol
  • 储运特性:库房通风低温干燥
  • 可燃性危险特性:可燃; 加热分解释放有毒硫氧化物,氮氧化物烟雾
  • 毒性分级:高毒
  • Sigma Aldrich:591-08-2(sigmaaldrich)
  • Hazard Note:Highly Toxic
  • 上游原料:乙酰氯 --> 硫脲 --> 三口烧瓶
  • Alfa Aesar:N-乙酰基硫脲,99+% N-Acetylthiourea, 99+%(591-08-2)
  • 用途一:有机合成。
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 图谱信息:N-乙酰硫脲(591-08-2)红外图谱(IR1) N-乙酰硫脲(591-08-2)红外图谱(IR2) N-乙酰硫脲(591-08-2)质谱(MS)
  • 方法一:由硫脲和乙酰氯反应而得。在带回流冷凝器的三口烧瓶中，加入38g硫脲，40g乙酰氯及500ml甲苯。在油浴上搅拌回流16h(不再放出氯化氢为止)蒸除甲苯，剩余物用其三倍的乙醇重结晶。得产品19g，熔点163-165℃,产率34%。
  • 类别:有毒物品
  • 急性毒性:口服-大鼠 LD50：50 毫克/公斤；口服-小鼠 LD50:94 毫克/公斤

系列性分类

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