CAS 53515-19-8 2-Methyl-thiobenzamide (HCID 816810)

基本情報

CAS: 53515-19-8
標準SMILES: Cc1ccccc1C(N)=S
InChIKey: DEFUMLHLEJNWIO-UHFFFAOYSA-N
分子式: C8H9NS
平均分子量: 151.23 g/mol
単同位体質量: 151.04557046

名称と識別子

優先名称: 2-Methyl-thiobenzamide
IUPAC: 2-methylbenzenecarbothioamide
現地名: 2-メチルチオベンズアミド
英語名: 2-Methyl-thiobenzamide
分子式: C8H9NS
分子量: 151.23

名称と別名

2-Methyl-thiobenzamideRefChem:475931674-606-453515-19-82-methylbenzothioamide2-Methylbenzenecarbothioamide2-Methylthiobenzamide2-methylbenzene-1-carbothioamideMFCD039453502-Methyl(thiobenzamide)thiuram toluenemethyl-thiobenzamide

名称をさらに表示

2-メチルチオベンズアミドAKOS B029535CHEMBRDG-BB 4009956SPECS AB-131/41020567Benzenecarbothioamide, 2-methyl-Benzenecarbothioamide, 2-methyl- (9CI)2-methylbenzenecarbothioamide(SALTDATA: FREE)1-[(AMINO-L4-SULFANYLIDYNE)METHYL]-2-METHYLBENZENE

2-METHYLBENZTHIOAMIDE2-Methylbenzenecarbothioamide #SCHEMBL1379361SCHEMBL6971700SCHEMBL7442372SCHEMBL18697895SCHEMBL29145470DTXSID00355709

データベース識別子

CAS: 53515-19-8
PubChem CID: 816810
DTXSID: DTXSID00355709
EC Number: 674-606-4
Nikkaji: J2.595.577C

物性

構造計算による物性

XLogP: 1.4
極性表面積: 58.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 133

物理化学的性質

融点: 142 °C · 142 °C
沸点: 265.998 · 265.998±33.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.143 · 1.143±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 12.692 · 12.692±0.29(predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (71.4%)

安全データ

hs_code: 2930909899
risk_code: 36/37/38
safety_code: 26-36/37/39

化学と産業

上流・下流製品情報

下流製品

4-Methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid

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化合物ノート

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