HCID3082127

Desmethylanethol trithione

5-(4-hydroxyphenyl)dithiole-3-thione

C9H6OS3226.3 g/molCAS 18274-81-2

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Oc1ccc(-c2cc(=S)ss2)cc1
InChIKey: IWBBKLMHAILHAR-UHFFFAOYSA-N
分子式: C9H6OS3
平均分子量: 226.3 g/mol
单同位素质量: 225.95807833

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 103 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 241

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 49 条

18274-81-25-(4-hydroxyphenyl)-3H-1,2-dithiole-3-thioneADT-OHDesmethylanethol trithioneDesmethyl-adt4-Hydroxyanethole trithioneP3SE9K2LHVDesmethylanethol dithiolthioneRefChem:505610996-524-03H-1,2-Dithiole-3-thione, 5-(4-hydroxyphenyl)-MFCD20922704ACS 1C9H6OS35-(4-hydroxyphenyl)dithiole-3-thioneCHEMBL402341DMADT4-(5-sulfanyldithiol-3-ylidene)cyclohexa-2,5-dien-1-oneUNII-P3SE9K2LHVADT-OH?

REACTIONS