chempirical

2-Butanethiol

C4H10SCAS 513-53-190.18 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
0.8299 g/mL (at 17 °C)
Melting point
−165 °C
Boiling point
84–85 °C
logP
1.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
513-53-1
SMILES
CCC(C)S
InChIKey
LOCHFZBWPCLPAN-UHFFFAOYSA-N
InChI
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • sec-Butyl mercaptan
  • sec-Butyl thioalcohol
  • sec-Butanethiol
  • sec-Butylthiol
  • 2-Butyl mercaptan
  • 2-Mercaptobutane
  • 1-Methyl-1-propanethiol
  • 3-Methyl-2-propanethiol
  • s-Butyl mercaptan
  • (±)-2-Butanethiol
  • NSC 78417
  • 2-Butylthiol

Work with 2-Butanethiol

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

2-Pentanethiol2084-19-750 % similar 1,2-Propanedithiol814-67-547 % similar 3,4-Dimethylhexane583-48-239 % similar Isopentane78-78-439 % similar 3-Methylpentane96-14-039 % similar 1,2-Butanedithiol16128-68-036 % similar 2-Methyl-1-butanethiol1878-18-836 % similar 3-Ethyl-2-methylpentane609-26-735 % similar

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

Same formula

1-Butanethiol109-79-5 Diethyl sulfide352-93-2 Methyl propyl sulfide3877-15-4 2-Methyl-1-propanethiol513-44-0 tert-Butylthiol75-66-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook