Benzamide, N-[(cyclohexylamino)thioxomethyl]-

HCID 895546CAS 4921-92-0

基本情報

標準SMILES: O=C(NC(=S)NC1CCCCC1)c1ccccc1
InChIKey: PSZJBKYIONLMPZ-UHFFFAOYSA-N
分子式: C14H18N2OS
平均分子量: 262.37 g/mol
単同位体質量: 262.1139842

名称と識別子

優先名称: Benzamide, N-[(cyclohexylamino)thioxomethyl]-
IUPAC: N-(cyclohexylcarbamothioyl)benzamide

名称と別名

4921-92-0Benzamide, N-[(cyclohexylamino)thioxomethyl]-DTXSID70884117Benzamide, N-((cyclohexylamino)thioxomethyl)-RefChem:561590DTXCID401023586812-984-6N-(cyclohexylcarbamothioyl)benzamide3-benzoyl-1-cyclohexylthioureaN-benzoyl-N'-cyclohexylthioureaCHEMBL1555726MLS001034907

名称をさらに表示

SCHEMBL16108484N-benzoyl N'-cyclohexyl thioureaBDBM50443480STK133453AKOS003422788SMR000665372CS-03680142N-014

データベース識別子

CAS: 4921-92-0
PubChem CID: 895546
DTXSID: DTXSID70884117
ChEMBL: CHEMBL1555726
EC Number: 812-984-6
Nikkaji: J1.472.375G

物性

構造計算による物性

XLogP: 3.8
極性表面積: 73.2 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 294

実験および物理化学的性質

Solubility8.5 [ug/mL] (The mean of the results at pH 7.4)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAquatic Acute 1 (100%)

化学と産業

用途と製造

General Manufacturing InformationBenzamide, N-[(cyclohexylamino)thioxomethyl]-: ACTIVE