3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]benzenethiol

HCID 21976868

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 216393-56-5
標準SMILES: CC(C)(C)[Si](C)(C)Oc1cccc(S)c1
InChIKey: KRHCTXFJCFMFOR-UHFFFAOYSA-N
分子式: C12H20OSSi
平均分子量: 240.44 g/mol
単同位体質量: 240.10041279

名称と識別子

優先名称: 3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]benzenethiol
IUPAC: 3-[tert-butyl(dimethyl)silyl]oxybenzenethiol
英語名: 3-(tert-Butyldimethylsiloxy)thiophenol
分子式: C12H20OSSi
分子量: 240.44

名称と別名

216393-56-53-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]benzenethiol3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)benzenethiolRefChem:2728193-((tert-Butyldimethylsilyl)oxy)benzenethiol3-(TERT-BUTYLDIMETHYLSILOXY)THIOPHENOL3-[(tert-butyldimethylsilyl)oxy]benzene-1-thiol3-[tert-butyl(dimethyl)silyl]oxybenzenethiolMFCD013181153-(tert-Butyldimethylsiloxy)benzenethiolC12H20OSSiSCHEMBL190595

名称をさらに表示

-(tert-Butyldimethylsiloxy)thiophenol

Benzenethiol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-DTXSID90621026KRHCTXFJCFMFOR-UHFFFAOYSA-NAKOS0273209373-(tert-butyl-dimethylsiloxy)-thiophenol3-(tert-butyldimethylsilyloxy)benzenethiol3-(t-butyl-dimethyl-silanyloxy)-benzenethiolCS-0206588

データベース識別子

CAS: 216393-56-5
PubChem CID: 21976868
DTXSID: DTXSID90621026
EC Number: 681-052-7

物性

構造計算による物性

極性表面積: 10.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 210

物理化学的性質

屈折率: 1.521 · 1.5210

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.