Benzyl sulfide

Catalog	ACM538749
CAS	538-74-9
Structure
Synonyms	Dibenzyl sulphide
IUPAC Name	Benzylsulfanylmethylbenzene
Molecular Weight	214.33
Molecular Formula	C14H14S
Canonical SMILES	C1=CC=C(C=C1)CSCC2=CC=CC=C2
InChI	InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key	LUFPJJNWMYZRQE-UHFFFAOYSA-N
Boiling Point	131 °C
Melting Point	44-47 °C
Flash Point	>110 °C
Purity	95%+
Density	1.088 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in ethanol, ether
Appearance	beige crystals or powder with an unpleasant smell
Exact Mass	214.08162162
Monoisotopic Mass	214.08162162
Physical State	Crystals
Refractive Index	n20/D 1.617(lit.)
Storage Conditions	0-10 °C
Topological Polar Surface Area	25.3 Ų