[3-(Ethylthio)phenyl]boronic acid

HCID 3484915CAS 870718-05-1

基本情報

標準SMILES: CCSc1cccc(B(O)O)c1
InChIKey: CZODYJDCHKOBID-UHFFFAOYSA-N
分子式: C8H11BO2S
平均分子量: 182.05 g/mol

名称と識別子

優先名称: [3-(Ethylthio)phenyl]boronic acid
IUPAC: (3-ethylsulfanylphenyl)boronic acid

名称と別名

870718-05-1(3-(Ethylthio)phenyl)boronic acid[3-(ethylthio)phenyl]boronic acidRefChem:2074703-Ethylthiophenylboronic acid3-(Ethylthio)phenylboronic acid(3-ethylsulfanylphenyl)boronic AcidMFCD030929303-EthylthiophenylboronicacidSCHEMBL852507SCHEMBL299523043-(Ethylthio)benzeneboronic acid

名称をさらに表示

(3-(Ethylthio)phenyl)boronicacidCZODYJDCHKOBID-UHFFFAOYSA-NAKOS015949569AB13167Boronic acid,b-[3-(ethylthio)phenyl]-BS-25829SY025105CS-0007632

データベース識別子

CAS: 870718-05-1
PubChem CID: 3484915
EC Number: 624-664-1

物性

構造計算による物性

極性表面積: 65.8 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 132

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.

Not Classified

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesNot Classified