Diisopropyl sulfide
Properties
- Molecular formula
- C6H14S
- Molar mass
- 118.24 g/mol
- Exact mass
- 118.0816 Da
- Density
- 0.8147 g/mL (at 20 °C)
- Melting point
- −78.1 °C
- Boiling point
- 120.1 °C
- logP
- 2.54Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation83.9% of notifiers
- H319 Causes serious eye irritation83.9% of notifiers
- H335 May cause respiratory irritation82.1% of notifiers
Aggregated from 56 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, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
625-80-9SMILES
CC(C)SC(C)CInChIKey
XYWDPYKBIRQXQS-UHFFFAOYSA-NInChI
InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Propane, 2,2′-thiobis-
- Isopropyl sulfide
- 2,2′-Thiobis[propane]
- 2,4-Dimethyl-3-thiapentane
- NSC 75121
- 2,2′-Thiodipropane
- 2-(Propan-2-ylsulfanyl)propane
- 2-Propan-2-ylsulfanylpropane
Work with Diisopropyl sulfide
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
Diisopropyl disulfide4253-89-850 % similar
Diisopropyl trisulfide5943-34-043 % similar
Isopropyl thiocyanate625-59-233 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds