Methyl propyl disulfide
Properties
- Molecular formula
- C4H10S2
- Molar mass
- 122.24 g/mol
- Exact mass
- 122.0224 Da
- Density
- 0.8375 g/mL (at 25 °C)
- Melting point
- −112.98 °C
- Boiling point
- 95.6 °C
- logP
- 2.41Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor34.9% of notifiers
- H315 Causes skin irritation96.5% of notifiers
- H319 Causes serious eye irritation98.3% of notifiers
- H332 Harmful if inhaled86% of notifiers
- H335 May cause respiratory irritation94.8% of notifiers
Aggregated from 1,496 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2179-60-4SMILES
CCCSSCInChIKey
PUCHCUYBORIUSM-UHFFFAOYSA-NInChI
InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Disulfide, methyl propyl
- 2,3-Dithiahexane
- 1-(Methyldisulfanyl)propane
Work with Methyl propyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Methyl propyl trisulfide17619-36-268 % similar
Dipropyl disulfide629-19-663 % similar
Dipropyl trisulfide6028-61-156 % similar
Methyl propyl sulphide3877-15-447 % similar
Propyl sulfide111-47-744 % similar
Allyl propyl disulfide2179-59-140 % similar
Butyl disulfide629-45-840 % similar
Dipentyl disulfide112-51-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds