chempirical

Diphenyl sulfide

C12H10SCAS 139-66-2186.27 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C12H10S
Molar mass
186.27 g/mol
Exact mass
186.0503 Da
Density
1.1136 g/mL (at 20 °C)
Melting point
−25.9 °C
Boiling point
296 °C
logP
3.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 191 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number
139-66-2
SMILES
c1ccc(Sc2ccccc2)cc1
InChIKey
LTYMSROWYAPPGB-UHFFFAOYSA-N
InChI
InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

Weigh it out

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Names and synonyms

11 names
  • (Phenylsulfanyl)benzene
  • Benzene, 1,1′-thiobis-
  • Phenyl sulfide
  • 1,1′-Thiobis[benzene]
  • Diphenyl sulphide
  • Diphenyl thioether
  • Diphenyl monosulfide
  • Diphenylmercaptan
  • Phenylthiobenzene
  • NSC 4568
  • Diphenylsulfane

Reactions

Work with Diphenyl sulfide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenyl disulfide882-33-760 % similar 4-(Phenylthio)benzaldehyde1208-88-455 % similar 4-(Phenylthio)benzenemethanol6317-56-255 % similar 4-(Phenylthio)-1,2-benzenediamine43156-48-552 % similar Thioanisole100-68-550 % similar 2-(Phenylthio)aniline1134-94-750 % similar 2-(Phenylthio)thiophene16718-12-050 % similar 1,1′-[Methylenebis(thio)]bis[benzene]3561-67-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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