Dimethyl trisulfide

C₂H₆S₃CAS 3658-80-8126.25 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor11.3% of notifiers
H302 Harmful if swallowed88.5% of notifiers
H315 Causes skin irritation> 99.9% of notifiers
H319 Causes serious eye irritation> 99.9% of notifiers
H335 May cause respiratory irritation99.9% of notifiers

Aggregated from 1,509 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

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 Methylallyl trisulfide34135-85-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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