4-Mercaptohydrocinnamic acid

Catalog	ACM63545551
CAS	63545-55-1
Structure
Synonyms	p-Mercaptohydrocinnamic acid
IUPAC Name	3-(4-Sulfanylphenyl)propanoic acid
Molecular Weight	182.24
Molecular Formula	C9H10O2S
Canonical SMILES	C1=CC(=CC=C1CCC(=O)O)S
InChI	InChI=1S/C9H10O2S/c10-9(11)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,12H,3,6H2,(H,10,11)
InChI Key	YQWPHBFLHAJVCG-UHFFFAOYSA-N
Boiling Point	345.1±17.0 °C
Melting Point	118 °C
Purity	95%+
Density	1.248±0.06 g/cm³
Appearance	Yellow Powder
Exact Mass	182.04015073
Monoisotopic Mass	182.04015073
Physical State	Powder
Storage Conditions	-20 °C
Topological Polar Surface Area	38.3 Ų