2-(Methylthiomethyl)-3-phenylpropenal

Catalog	ACM65887083
CAS	65887-08-3
Structure
Synonyms	2-Benzyl-3-sulfanylbut-1-en-1-one
IUPAC Name	(E)-2-(Methylsulfanylmethyl)-3-phenylprop-2-enal
Molecular Weight	192.28
Molecular Formula	C11H12OS
Canonical SMILES	CSCC(=CC1=CC=CC=C1)C=O
InChI	InChI=1S/C11H12OS/c1-13-9-11(8-12)7-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b11-7+
InChI Key	QJDHQEQDIWDMOT-YRNVUSSQSA-N
Purity	95%+
Density	1.080-1.085 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; miscible in fats
Exact Mass	192.06088618
Isomeric SMILES	CSC/C(=C/C1=CC=CC=C1)/C=O
Monoisotopic Mass	192.06088618
Physical State	Viscous liquid
Refractive Index	n20/D 1.622-1.632(lit.)
Topological Polar Surface Area	42.4 Ų