tert-Butyl sulfide
Properties
- Molecular formula
- C8H18S
- Molar mass
- 146.29 g/mol
- Exact mass
- 146.1129 Da
- Density
- 1.001 g/mL (at 15 °C)
- Melting point
- −9 °C
- Boiling point
- 149.1 °C
- logP
- 3.32Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor92.8% of notifiers
- H315 Causes skin irritation13.8% of notifiers
- H319 Causes serious eye irritation88.2% of notifiers
- H335 May cause respiratory irritation11.8% of notifiers
Aggregated from 544 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
107-47-1SMILES
CC(C)(C)SC(C)(C)CInChIKey
LNMBCRKRCIMQLW-UHFFFAOYSA-NInChI
InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Propane, 2,2′-thiobis[2-methyl-
- 2,2′-Thiobis[2-methylpropane]
- Di-tert-butyl sulfide
- 2,2,4,4-Tetramethyl-3-thiapentane
- Bis(1,1-dimethylethyl) sulfide
- NSC 4549
- 2-tert-Butylsulfanyl-2-methylpropane
- 2-(tert-Butylsulfanyl)-2-methylpropane
Work with tert-Butyl 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
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds