3-Methyl-1-benzothiophene-2-sulfonyl chloride

HCID 2736815

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 58401-21-1
標準SMILES: Cc1c(S(=O)(=O)Cl)sc2ccccc12
InChIKey: ZYWPTEYCYRLUSL-UHFFFAOYSA-N
分子式: C9H7ClO2S2
平均分子量: 246.7 g/mol

名称と識別子

優先名称: 3-Methyl-1-benzothiophene-2-sulfonyl chloride
IUPAC: 3-methyl-1-benzothiophene-2-sulfonyl chloride

名称と別名

58401-21-13-methyl-1-benzothiophene-2-sulfonyl chlorideRefChem:503484870-468-63-Methylbenzo[b]thiophene-2-sulphonyl chloride3-methyl-1-benzothiophene-2-sulfonylchloride3-methylbenzothiophene-2-sulfonyl ChlorideMFCD00210164SCHEMBL787663ZYWPTEYCYRLUSL-UHFFFAOYSA-NICA40121SBB100181

名称をさらに表示

AKOS000160911DB-152161CS-0244005methylbenzo[b]thiophene-2-sulphonyl chloride3-methylbenzo[b]thiophene-2-sulfonyl chloridechloro(3-methylbenzo[b]thiophen-2-yl)sulfoneEN300-270953

データベース識別子

CAS: 58401-21-1
PubChem CID: 2736815
EC Number: 870-468-6

物性

構造計算による物性

XLogP: 3.7
極性表面積: 70.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 309

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.