chempirical

Allyl methyl disulfide

C4H8S2CAS 2179-58-0120.23 g/mol

Open in Covalent MOL file
SS
AlkeneDisulfide

Properties

Molecular formula
C4H8S2
Molar mass
120.23 g/mol
Exact mass
120.0067 Da
logP
2.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2179-58-0
SMILES
C=CCSSC
InChIKey
XNZOTQPMYMCTBZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3

Weigh it out

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

Names and synonyms

5 names
  • Disulfide, methyl 2-propenyl
  • Disulfide, allyl methyl
  • Methyl 2-propenyl disulfide
  • Methyl allyl disulfide
  • 2-Propenyl methyl disulfide

Work with Allyl 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

Allyl methyl trisulfide34135-85-871 % similar Diallyl disulfide2179-57-961 % similar Diallyl trisulfide2050-87-555 % similar Allyl methyl sulfide10152-76-852 % similar Allyl propyl disulfide2179-59-148 % similar Diallyl sulfide592-88-145 % similar 3-(Propylthio)-1-propene27817-67-038 % similar Methyl propyl disulfide2179-60-433 % similar

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

Same formula

1,3-Dithiane505-23-7 1,4-Dithiane505-29-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook