chempirical

Methylallyl trisulfide

C4H8S3CAS 34135-85-8152.29 g/mol

Open in Covalent MOL file
SSS
AlkeneDisulfide

Properties

Molecular formula
C4H8S3
Molar mass
152.29 g/mol
Exact mass
151.9788 Da
Density
0.975–0.985 g/mL
Melting point
below 25 °C
Boiling point
29 °C
logP
2.83Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,375 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, P501

Identifiers

CAS number
34135-85-8
SMILES
C=CCSSSC
InChIKey
JGMPRNFEEAJLAJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3

Weigh it out

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

Names and synonyms

7 names
  • Allyl methyl trisulfide
  • Trisulfide, methyl 2-propenyl
  • Trisulfide, allyl methyl
  • Methyl 2-propenyl trisulfide
  • Methyl allyl trisulfide
  • 1-Methyl-3-allyl trisulfide
  • 1-Methyl-3-(prop-2-en-1-yl)trisulfane

Work with Methylallyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Allyl methyl disulfide2179-58-071 % similar Diallyl trisulfide2050-87-565 % similar Diallyl disulfide2179-57-955 % similar Allyl methyl sulfide10152-76-848 % similar Allyl propyl disulfide2179-59-144 % similar Diallyl sulfide592-88-141 % similar Methyl propyl trisulfide17619-36-238 % similar 3-(Propylthio)-1-propene27817-67-036 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook