Allyl methyl disulfide

C₄H₈S₂CAS 2179-58-0120.23 g/mol

Open in Covalent MOL file

Alkene Disulfide

Properties

Molecular formula: C₄H₈S₂
Molar mass: 120.23 g/mol
Exact mass: 120.0067 Da
Density: 0.927–0.933 g/mL
logP: 2.18Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H225 Highly Flammable liquid and vapor80% of notifiers
H226 Flammable liquid and vapor20% of notifiers
H302 Harmful if swallowed13.3% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation13.3% of notifiers

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 and density.

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

Methylallyl 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