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Phenyl sulfide

Catalog Number
ACM139662
Product Name
Phenyl sulfide
Structure
CAS
139-66-2
Category
Polymers
Description
Liquid
IUPAC Name
phenylsulfanylbenzene
Molecular Weight
186.27g/mol
Molecular Formula
C12H10S
Canonical SMILES
C1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChI Key
LTYMSROWYAPPGB-UHFFFAOYSA-N
Boiling Point
296.0 °C
Melting Point
-25.9 °C
Purity
99%
Complexity
116
Covalently-Bonded Unit Count
1
EC Number
205-371-4
Exact Mass
186.050321g/mol
Formal Charge
0
Heavy Atom Count
13
Log P
4.45 (LogP)
MeSH Entry Terms
diphenyl sulfide
Monoisotopic Mass
186.050321g/mol
NSC Number
4568
Rotatable Bond Count
2
UNII
B5P3Y93MNR
Vapor Pressure
0.01 mmHg
XLogP3
4.5
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