Thioanisole

Catalog	ACM100685
CAS	100-68-5
Structure
Synonyms	(1-Thiaethyl)benzene
IUPAC Name	Methylsulfanylbenzene
Molecular Weight	124.21
Molecular Formula	C7H8S
Canonical SMILES	CSC1=CC=CC=C1
InChI	InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key	HNKJADCVZUBCPG-UHFFFAOYSA-N
Boiling Point	188 °C
Melting Point	-15 °C
Flash Point	135 °F
Purity	95%+
Density	1.057 g/mL at 20 °C(lit.)
Solubility	Insoluble in water; soluble in alcohol and oil
Exact Mass	124.03467143
Monoisotopic Mass	124.03467143
Physical State	Liquid
Refractive Index	n20/D 1.587(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	25.3 Ų