HRID1378615
uspto-grants-1997_09
作为反应物
uspto-grants-1997_09 · 10.6084/m9.figshare.5104873.v1 · US05668161
查看IDENTITY
结构与身份
- 标准SMILES
- NC(=S)Nc1cc(Cl)cc(Cl)c1
- InChIKey
- BNJARXOEVLYKDN-UHFFFAOYSA-N
- 分子式
- C7H6Cl2N2S
- 平均分子量
- 221.11 g/mol
- 单同位素质量
- 219.9628748
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 70.1 Ų
- 氢键供体
- 2
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 167
PROPERTIES
实验与物化性质
Solubility
33 [ug/mL] (The mean of the results at pH 7.4)
GHS
GHS分类
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
ALIASES
名称与别名
107707-33-53,5-dichlorophenylthioureaDTXSID10372124RefChem:271697DTXCID703231571-(3,5-dichlorophenyl)thiourea1-(3,5-Dichlorophenyl)-2-thioureaN-(3,5-dichlorophenyl)thiourea(3,5-dichlorophenyl)thioureaMFCD00041168N-[3,5-dichlorophenyl]thioureaThiourea, (3,5-dichlorophenyl)-amino[(3,5-dichlorophenyl)amino]methane-1-thioneNSC523950Maybridge1_007644MLS000861985SCHEMBL4324931CHEMBL1461007SCHEMBL10785056HMS563D10
REACTIONS