Diphenyl sulphide

CAT: 0127-OR2458-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR2458-01Size:25 g

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CAS Number

139-66-2

Synonyms

Diphenyl thioether

MDL Number

MFCD00003064

Purity

98%

Smiles

S(c1ccccc1)c2ccccc2

Chemical Information

Diphenyl sulfide

Diphenyl sulfide is an aryl sulfide that consists of two phenyl groups connected by a sulphur atom.

CAS Number	139-66-2
PubChem CID	8766
IUPAC Name	phenylsulfanylbenzene
Molecular Formula	C12H10S
Molecular Weight	186.27
XLogP	4.5
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	116

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

InChIKey

LTYMSROWYAPPGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 139-66-2

CID: 8766

Formula: C12H10S

MW: 186.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.27
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	186.05032149
Monoisotopic Mass	186.05032149
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR17026-01	Diphenyl sulphone
OR0791-01	Diphenyl sulphoxide
BUP17397-01	Diphenyl sulfide
OR25786-01	Triphenylphosphine sulphide
OR25773-01	Triethylphosphine sulphide
PC9256-01	Decafluorodiphenyl sulphide
OR0793	Dipropyl sulphide
IN3385	Strontium sulphide
IN1219-01	Barium (II) sulphide
OR18312-01	Isopropyl phenyl sulphide

Catalog	Name
055535	Copper (II) Sulphide (Cupric Sulphide)
3125875	Zinc sulphide
119720 25	Silver Sulphide
011930-01	Antimony (III) Sulphide (Antimony Sulphide Black)
FD36106	Dithienyl sulphide
443753-01	Cadmium Sulphide
196725	Potassium Sulphide
ISE39B	SULPHIDE ISE
ID57911-01	Pantoprazole sulphide
020995	Barium Sulphide