1,1′-[Methylenebis(thio)]bis[benzene]

C₁₃H₁₂S₂CAS 3561-67-9232.36 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

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

9 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

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

Elsewhere

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