3-[4-(Methylsulfanyl)phenyl]acrylic acid

Catalog	ACM102016580
CAS	102016-58-0
Structure
Synonyms	p-(Methylthio)cinnamic acid
IUPAC Name	(E)-3-(4-Methylsulfanylphenyl)prop-2-enoic acid
Molecular Weight	194.25
Molecular Formula	C10H10O2S
Canonical SMILES	CSC1=CC=C(C=C1)C=CC(=O)O
InChI	InChI=1S/C10H10O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChI Key	AHBHKZCSIUIANZ-QPJJXVBHSA-N
Boiling Point	362.8±25.0 °C
Melting Point	174-175 °C
Purity	95%+
Density	1.23±0.1 g/cm³
Exact Mass	194.04015073
Isomeric SMILES	CSC1=CC=C(C=C1)/C=C/C(=O)O
Monoisotopic Mass	194.04015073
Storage Conditions	2-8 °C
Topological Polar Surface Area	62.6 Ų