1,1′-[Methylenebis(thio)]bis[benzene]

C13H12S2CAS 3561-67-9232.36 g/mol

Open in Covalent MOL file
SS
Sulfide

Properties

Molecular formula
C13H12S2
Molar mass
232.36 g/mol
Exact mass
232.0380 Da
Melting point
35–36 °C
Boiling point
194 °C (at 8 Torr)
logP
4.53Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3561-67-9
SMILES
c1ccc(SCSc2ccccc2)cc1
InChIKey
ZHUPZVIALZHGGP-UHFFFAOYSA-N
InChI
InChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Benzene, 1,1′-[methylenebis(thio)]bis-
  • Methane, bis(phenylthio)-
  • Bis(phenylthio)methane
  • Formaldehyde diphenyl mercaptal
  • Formaldehyde bis(phenylthio) acetal
  • Formaldehyde diphenyl dithioacetal
  • Di(phenylthio)methane
  • NSC 65477
  • Bis(phenylsulfanyl)methane
  • 1,1'-(Methylenebis(thio))bis(benzene)

Work with 1,1′-[Methylenebis(thio)]bis[benzene]

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-867 % similar Ethyl phenyl sulfide622-38-857 % similar Chloromethyl phenyl sulphide7205-91-657 % similar Benzyl phenyl sulfide831-91-457 % similar 2-(Phenylthio)acetonitrile5219-61-452 % similar 2-Chloroethyl phenyl sulfide5535-49-952 % similar 2-(Phenylthio)ethanol699-12-752 % similar Diphenyl sulfide139-66-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook