tert-Butyl sulfide

C₈H₁₈SCAS 107-47-1146.29 g/mol

Open in Covalent MOL file

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 Å²
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

107-47-1

SMILES

CC(C)(C)SC(C)(C)C

InChIKey

LNMBCRKRCIMQLW-UHFFFAOYSA-N

InChI

InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3

Weigh 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

Trithioacetone828-26-238 % similar

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

Same formula

1-Octanethiol111-88-6 Dibutyl sulfide544-40-1 2-Ethyl-1-hexanethiol7341-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook