HCID2737539

3,5-Dichlorophenylthiourea

(3,5-dichlorophenyl)thiourea

C7H6Cl2N2S221.11 g/molCAS 107707-33-5

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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

已同步

XLogP: 2.4
极性表面积: 70.1 Å²
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

来源：PubChem

Solubility

33 [ug/mL] (The mean of the results at pH 7.4)

GHS

GHS分类

来源：PubChem

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

共 38 条

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

参与反应

2 条

uspto-grants-1987_12 · 10.6084/m9.figshare.5104873.v1 · US04713382

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uspto-grants-1997_09 · 10.6084/m9.figshare.5104873.v1 · US05668161

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