Structure

Benzyl sulfide

CAS
538-74-9
Catalog Number
ACM538749
Category
Other Products
Molecular Weight
214.33
Molecular Formula
C14H14S

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Specification

Synonyms
Dibenzyl sulphide
IUPAC Name
Benzylsulfanylmethylbenzene
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
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
EC Number
208-703-6
Exact Mass
214.08162162
H-Bond Acceptor
0
H-Bond Donor
0
Monoisotopic Mass
214.08162162
Physical State
Crystals
Refractive Index
n20/D 1.617(lit.)
Safety Description
S22-S24/25
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Conditions
0-10 °C
Topological Polar Surface Area
25.3 Ų
UN Number
3335
WGK Germany
2
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