chempirical

Benzyl methyl sulfide

C8H10SCAS 766-92-7138.23 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C8H10S
Molar mass
138.23 g/mol
Exact mass
138.0503 Da
Density
1.0274 g/mL (at 20 °C)
Melting point
−30 °C
Boiling point
210 °C
logP
2.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
766-92-7
SMILES
CSCc1ccccc1
InChIKey
OFQPKKGMNWASPN-UHFFFAOYSA-N
InChI
InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, [(methylthio)methyl]-
  • Sulfide, benzyl methyl
  • [(Methylthio)methyl]benzene
  • Methyl benzyl sulfide
  • 1-Phenyl-2-thiapropane
  • NSC 75125
  • Benzyl methyl thioether
  • [(Methylsulfanyl)methyl]benzene

Work with Benzyl methyl 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

Benzyl methyl disulfide699-10-558 % similar Dibenzyl disulfide150-60-757 % similar Dibenzyl sulfide538-74-957 % similar Benzyl phenyl sulfide831-91-450 % similar Tropeolin3012-37-146 % similar Bibenzyl103-29-745 % similar Ethylbenzene100-41-443 % similar Diphenylmethane101-81-543 % similar

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

Same formula

2,6-Dimethylbenzenethiol118-72-9 2,4-Dimethylbenzenethiol13616-82-5 3,4-Dimethylbenzenethiol18800-53-8 3,5-Dimethylbenzenethiol38360-81-5 2,5-Dimethylbenzenethiol4001-61-0 Benzeneethanethiol4410-99-5 4-Methylbenzyl mercaptan4498-99-1 2-Ethylbenzenethiol4500-58-7

Elsewhere

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