N-Methylthiourea N-甲硫脲

CAS 598-52-7 MFCD00004938

化学结构图

598-52-7
SMILES: CNC(N)=S

化学属性

Mol. FormulaC2H6N2S
Mol. Weight90.14
Melting Point118-121°C
Density1.14
TSCANo
Appearance 白色针状或柱状结晶。熔点120.5-121℃。易溶于水和醇,溶于丙酮,微溶于醚。
Boiling Point141°C at 760 mmHg

别名和识别编码

Chemical NameN-Methylthiourea
CAS Number598-52-7
Alfabeta NameMETHYLTHIOUREA 12---
MDL NumberMFCD00004938
Synonym 1-Methylthiourea {LY} 1-Methylthiourea {} {LY} 1-Methylthiourea {} {} {LY} 1-Methylthiourea {} {} {} {LY} 1-Methylthiourea {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number209-936-6
Beilstein Registry Number4,70
PubChem Substance ID87572641
Chemical Name TranslationN-甲硫脲
Reaxys-RN506162
InChIKeyKQJQICVXLJTWQD-UHFFFAOYSA-N
Wiswesser Line NotationSUYZM1
LabNetwork Molecule IDLN00158488
Canonical SMILESCNC(N)=S
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分类

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

相关文献及参考

  • Short: II/27B
  • Beilstein:4,70
  • Short: III/35B

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P301+P310+P330
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P405 Store locked up. 上锁保管。
  • 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。
  • P301+P310
RTECSYT9000000
Hazard statements
  • H300 Fatal if swallowed 吞食致命
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Packing GroupII
UN Number 2811
Hazard Codes T
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1850 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 35,409,1980

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 23,335,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2885 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 94,1419,1974

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            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - gastrointestinal
   system
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: 23,335,1981

{haza

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 250 mg/kg
SEX/DURATION            : female 14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
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: 23,335,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 200 mg/kg
SEX/DURATION            : female 14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Specific Developmental Abnormalities - urogenital system
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: 26(1),19A,1982

其他信息

  • 上游原料:异硫氰酸甲酯
  • MOL 文件:598-52-7.mol
  • 用途一:用于有机合成。
  • 下游产品:甲硫醇,压力包装,约为22克。 --> 甲基苯噻隆 --> 奥苯达唑 --> 依斯美林
  • 易溶于醇、醚,不溶于非极性溶剂,溶解度:165 g/L 水(20°C)、25 g/L 异丙醇(20°C)。
  • N-甲硫脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0619 N-甲硫脲 N-Methylthiourea 500G 2810元 2014/06/02 M0619 N-甲硫脲 N-Methylthiourea 25G 323元 2010/06/21 127900250 N-甲硫脲 N-Methylthiourea 97% 25 GR 376元
  • 方法一:在搅拌下将异硫氰酸甲酯滴加到浓氨水中,加毕,加热除去过量的氨。反应混合物经活性炭脱色后,冷却析出甲基硫脲结晶。收率74%-81%。
  • Acros Organics:N-甲硫脲 N-Methylthiourea, 97%(598-52-7)
  • 图谱信息:N-甲硫脲(598-52-7)红外图谱(IR1) N-甲硫脲(598-52-7)核磁图( 13 CNMR) N-甲硫脲(598-52-7)核磁图( 1 HNMR) N-甲硫脲(598-52-7)红外图谱(IR2) N-甲硫脲(598-52-7)质谱(MS)
  • TCI Shanghai:N-甲硫脲 N-Methylthiourea,>;98.0%(T)(598-52-7)
  • Alfa Aesar:N-甲基硫脲,98% N-Methylthiourea, 98+%(598-52-7)
  • Sigma Aldrich:598-52-7(sigmaaldrich)

系列性分类


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