chempirical

tert-Butylthiol

C4H10SCAS 75-66-190.18 g/mol

Open in Covalent MOL file
SH
Thiol

Properties

Molecular formula
C4H10S
Molar mass
90.18 g/mol
Exact mass
90.0503 Da
Density
0.8 g/mL
Melting point
−0.5 °C
Boiling point
−63.7–64.2 °C
logP
1.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
75-66-1
SMILES
CC(C)(C)S
InChIKey
WMXCDAVJEZZYLT-UHFFFAOYSA-N
InChI
InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 2-Propanethiol, 2-methyl-
  • 2-Methyl-2-propanethiol
  • tert-Butanethiol
  • 1,1-Dimethylethanethiol
  • 2-Isobutanethiol
  • t-Butylmercaptan
  • t-Butylthiol
  • t-Butanethiol
  • tert-Butyl mercaptan
  • TBM

Work with tert-Butylthiol

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

Same formula

1-Butanethiol109-79-5 Diethyl sulfide352-93-2 Methyl propyl sulfide3877-15-4 2-Methyl-1-propanethiol513-44-0 2-Butanethiol513-53-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia