ベンゾ[b]チオフェン

Benzo(B)Thiophene

HCID 7221CAS 11095-43-5

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc2sccc2c1
InChIKey: FCEHBMOGCRZNNI-UHFFFAOYSA-N
分子式: C8H6S
平均分子量: 134.2 g/mol
単同位体質量: 134.01902119

概要

1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes.

名称と識別子

優先名称: Benzo(B)Thiophene
IUPAC: 1-benzothiophene
英語名: benzothiophene
分子量: 0

名称と別名

Benzo[b]thiopheneThianaphthene95-15-81-BenzothiopheneBENZOTHIOPHENEBenzothiofuranThionaphthene1-ThiaindeneThianaphteneThianaphthenBENZO(B)THIOPHENEBenzothiophen

名称をさらに表示

NSC-47196DTXSID2052736073790YQ2GCHEBI:35858RefChem:118685DTXCID9031276CHEBI:35857202-395-7

データベース識別子

CAS: 11095-43-5、95-15-8
PubChem CID: 7221
DTXSID: DTXSID2052736
ChEMBL: CHEMBL87112
ChEBI: CHEBI:35858
UNII: 073790YQ2G
EC Number: 202-395-7
Nikkaji: J4.710D

物性

構造計算による物性

XLogP: 3.1
極性表面積: 28.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 101

実験および物理化学的性質

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure0.99 [mmHg]

Physical DescriptionSolid with an odor like naphthalene; mp = 32 deg C; [Merck Index] White crystals with an unpleasant odor; mp =28-32 deg C; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.