chempirical

Dibenzyl sulfide

C14H14SCAS 538-74-9214.33 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C14H14S
Molar mass
214.33 g/mol
Exact mass
214.0816 Da
Density
1.0583 g/mL (at 50 °C)
Melting point
49.5 °C
Boiling point
111–115 °C (at 0.3 Torr)
logP
4.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
538-74-9
SMILES
c1ccc(CSCc2ccccc2)cc1
InChIKey
LUFPJJNWMYZRQE-UHFFFAOYSA-N
InChI
InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

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

Names and synonyms

11 names
  • Benzene, 1,1′-[thiobis(methylene)]bis-
  • Benzyl sulfide
  • 1,1′-[Thiobis(methylene)]bis[benzene]
  • Dibenzyl monosulfide
  • Benzyl thioether
  • Benzyl monosulfide
  • Dibenzyl thioether
  • ((Benzylthio)methyl)benzene
  • NSC 212544
  • NSC 6648
  • Benzyl phenylmethyl sulfide

Work with Dibenzyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibenzyl disulfide150-60-767 % similar 2-[(Phenylmethyl)thio]ethanol3878-41-961 % similar Benzyl methyl sulfide766-92-757 % similar Benzyl phenyl sulfide831-91-457 % similar Bibenzyl103-29-753 % similar Tropeolin3012-37-152 % similar Benzyl methyl disulfide699-10-552 % similar 1-[(Phenylmethyl)thio]-2-propanone10230-69-052 % similar

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

Elsewhere

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