HCID579784

4-Mercaptohydrocinnamic Acid

3-(4-sulfanylphenyl)propanoic acid

C9H10O2S182.24 g/molCAS 63545-55-1

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IDENTITY

结构与身份

标准SMILES: O=C(O)CCc1ccc(S)cc1
InChIKey: YQWPHBFLHAJVCG-UHFFFAOYSA-N
分子式: C9H10O2S
平均分子量: 182.24 g/mol
单同位素质量: 182.04015073

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 38.3 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 151

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye 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)

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

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

ALIASES

名称与别名

共 27 条

4-Mercaptohydrocinnamic Acid63545-55-13-(4-Mercaptophenyl)propanoic acidDTXSID60342211RefChem:524401DTXCID80293291678-610-73-(4-Sulfanylphenyl)propanoic acid4-MERCAPTOPHENYLPROPIONIC ACID3-(4-Mercaptophenyl)propionic AcidMFCD00060121benzenepropanoic acid, 4-mercapto-p-Mercaptohydrocinnamic Acid4-Mercaptodihydrocinnamic Acid3-(p-Mercaptophenyl)propionic acidSCHEMBL1810140YQWPHBFLHAJVCG-UHFFFAOYSA-3-(4-Mercaptophenyl)propanoicacid3-(4-Sulfanylphenyl)propanoic acid #AKOS022641186

REACTIONS