chempirical

Dimethyl trisulfide

C2H6S3CAS 3658-80-8126.25 g/mol

Open in Covalent MOL file
SSS
Disulfide

Properties

Molecular formula
C2H6S3
Molar mass
126.25 g/mol
Exact mass
125.9632 Da
Density
1.1978 g/mL (at 25 °C)
Melting point
−68.05 °C
Boiling point
70 °C (at 14 Torr)
logP
2.28Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
3658-80-8
SMILES
CSSSC
InChIKey
YWHLKYXPLRWGSE-UHFFFAOYSA-N
InChI
InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Trisulfide, dimethyl
  • Methyl trisulfide
  • 2,3,4-Trithiapentane
  • NSC 97324
  • (Methyltrisulfanyl)methane

Work with Dimethyl trisulfide

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

Dimethyl disulfide624-92-056 % similar Methyl propyl trisulfide17619-36-239 % similar Allyl methyl trisulfide34135-85-835 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia