2-Methyltetrahydrothiophen-3-one

Catalog	ACM13679851
CAS	13679-85-1
Structure
Synonyms	Dihydro-2-methyl-3(2H)-thiophenone
IUPAC Name	2-Methylthiolan-3-one
Molecular Weight	116.18
Molecular Formula	C5H8OS
Canonical SMILES	CC1C(=O)CCS1
InChI	InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChI Key	YMZZPMVKABUEBL-UHFFFAOYSA-N
Boiling Point	82 °C
Flash Point	160 °F
Purity	99%+
Density	1.119 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol, fats
Appearance	Liquid
Exact Mass	116.02958605
Monoisotopic Mass	116.02958605
Physical State	Liquid
Refractive Index	n20/D 1.508(lit.)
Storage Conditions	Dark place,inert atmosphere,Room Temperature
Topological Polar Surface Area	42.4 Ų