Methyl phenyl disulfide

C₇H₈S₂CAS 14173-25-2156.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈S₂
Molar mass: 156.26 g/mol
Exact mass: 156.0067 Da
Density: 1.145–1.15 g/mL
Boiling point: 83–84 °C (at 1 Torr)
logP: 3.06Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed87.5% of notifiers

Aggregated from 88 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

Identifiers

CAS number

14173-25-2

SMILES

CSSc1ccccc1

InChIKey

LMSQHVXHZCNJEP-UHFFFAOYSA-N

InChI

InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

5 names

Disulfide, methyl phenyl
Phenyl methyl disulfide
NSC 677545
NSC 87076
(Methyldisulfanyl)benzene

Work with Methyl phenyl 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

Diphenyl disulfide882-33-761 % similar Thioanisole100-68-552 % similar Diphenyl sulfide139-66-245 % similar Benzyl methyl disulfide699-10-542 % similar [(Trimethylsilyl)thio]benzene4551-15-940 % similar Ethyl phenyl sulfide622-38-840 % similar 1,1′-[Methylenebis(thio)]bis[benzene]3561-67-939 % similar 1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-839 % similar

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

Same formula

4-(Methylthio)benzenethiol1122-97-0 Toluene-3,4-dithiol496-74-2

Elsewhere

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