chempirical

tert-Butyl sulfide

C8H18SCAS 107-47-1146.29 g/mol

Open in Covalent MOL file
S
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

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

tert-Butyl disulfide110-06-550 % similar 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