2-Thioxoimidazolidin-4-One 2-硫代咪唑烷-4-酮

CAS 503-87-7 MFCD00005277

化学结构图

503-87-7
SMILES: O=C1CNC(=S)N1

化学属性

Mol. FormulaC3H4N2OS
Mol. Weight116.14
Melting Point229-231 °C
TSCAYes
Vapor Density4 (vs air)

别名和识别编码

Chemical Name2-Thioxoimidazolidin-4-One
Synonym 2-Thiohydantoin {LY} 2-Thiohydantoin {} {LY} 2-Thiohydantoin {} {} {LY} 2-Thiohydantoin {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiohydantoin {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00005277
CAS Number503-87-7
EC Number207-977-4
PubChem Substance ID1274030
Alfabeta NameTHIOHYDANTOIN 2-
Chemical Name Translation2-硫代咪唑烷-4-酮
InChIKeyUGWULZWUXSCWPX-UHFFFAOYSA-N
Wiswesser Line NotationT5MYMV EHJ BUS
Beilstein Registry Number0110599
LabNetwork Molecule IDLN00184229
InChIInChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
Canonical SMILESO=C(CN1)NC1=S
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Imidazolines/Imidazolidines
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 5ring; amide; lactame; 1fragment

相关文献及参考

  • Short: III/10a
  • Short: III/39
  • Short: III/5a
  • {} {uni_hamb

安全信息

RTECSMU4200000
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
WGK Germany3
GHS Symbol
Precautionary statements
  • 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+P312+P330
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H332 Harmful if inhaled 吸入有害
  • H312 Harmful in contact with skin 皮肤接触有害
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
Warnings IRRITANT
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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 420 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 13,350,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 417 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KHFZAN Khimiko-Farmatsevticheskii Zhurnal.  Chemical Pharmaceutical Journal.
    For English translation, see PCJOAU.  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR)  V.1-    1967-  Volume(issue)/page/year: 24(4),32,1990

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 蒸气密度:4 (vs air)
  • Sigma Aldrich:503-87-7(sigmaaldrich)
  • Alfa Aesar:2-硫代乙内酰脲,99% 2-Thiohydantoin, 99%(503-87-7)
  • 2-硫代乙内酰脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B24934 2-硫代乙内酰脲, 99% 2-Thiohydantoin, 99% 5g 372元 2010/05/25 B24934 2-硫代乙内酰脲, 99% 2-Thiohydantoin, 99% 25g 1151元 2010/05/25 B24934 2-硫代乙内酰脲, 99% 2-Thiohydantoin, 99% 100g 3682元
  • MOL 文件:503-87-7.mol

系列性分类


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