chempirical

Benzyl methyl disulfide

C8H10S2CAS 699-10-5170.29 g/mol

Open in Covalent MOL file
SS
Disulfide

Properties

Molecular formula
C8H10S2
Molar mass
170.29 g/mol
Exact mass
170.0224 Da
Boiling point
66 °C (at 0.2 Torr)
logP
3.20Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
699-10-5
SMILES
CSSCc1ccccc1
InChIKey
NWYGPVZOBBHKLI-UHFFFAOYSA-N
InChI
InChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

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Names and synonyms

6 names
  • Disulfide, methyl phenylmethyl
  • Disulfide, benzyl methyl
  • Methyl phenylmethyl disulfide
  • Methyl benzyl disulfide
  • NSC 677547
  • [(Methyldisulfanyl)methyl]benzene

Work with Benzyl methyl disulfide

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 Benzyl methyl sulfide766-92-758 % similar Dibenzyl sulfide538-74-952 % similar Furfuryl methyl disulfide57500-00-247 % similar Benzyl phenyl sulfide831-91-446 % similar Tropeolin3012-37-143 % similar Methyl phenyl disulfide14173-25-242 % similar Bibenzyl103-29-741 % similar

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

Same formula

1,4-Benzenedimethanethiol105-09-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook