Furfuryl methyl disulfide

C₆H₈OS₂CAS 57500-00-2160.25 g/mol

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Properties

Molecular formula: C₆H₈OS₂
Molar mass: 160.25 g/mol
Exact mass: 160.0017 Da
Boiling point: 50.5–51.5 °C (at 0.5 Torr)
logP: 2.79Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers

Aggregated from 1,446 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

57500-00-2

SMILES

CSSCc1ccco1

InChIKey

CLSLQQCDHOZMDT-UHFFFAOYSA-N

InChI

InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3

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Names and synonyms

4 names

Furan, 2-[(methyldithio)methyl]-
2-[(Methyldithio)methyl]furan
Methyl furfuryl disulfide
2-[(Methyldisulfanyl)methyl]furan

Work with Furfuryl 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

Difurfuryl disulfide4437-20-172 % similar 2-[(Methylthio)methyl]furan1438-91-164 % similar Difurfuryl sulfide13678-67-659 % similar 2-[[(1-Methylethyl)thio]methyl]furan1883-78-953 % similar Furfurylthiol acetate13678-68-749 % similar Furfuryl mercaptan formate59020-90-548 % similar 2-Ethylfuran3208-16-048 % similar Benzyl methyl disulfide699-10-547 % similar

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

Same formula

2-Methyl-3-(methyldithio)furan65505-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook