chempirical

2-Pentanethiol

C5H12SCAS 2084-19-7104.21 g/mol

Open in Covalent MOL file
SH
Thiol

Properties

Molecular formula
C5H12S
Molar mass
104.21 g/mol
Exact mass
104.0660 Da
Melting point
−169 °C
Boiling point
112.9 °C
logP
2.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
2084-19-7
SMILES
CCCC(C)S
InChIKey
QUSTYFNPKBDELJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Methylbutanethiol
  • sec-Amylmercaptan
  • 2-Pentyl mercaptan
  • 2-Mercaptopentane

Work with 2-Pentanethiol

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-Butanethiol513-53-150 % similar 2-Methylpentane107-83-545 % similar 4-Methylheptane589-53-745 % similar 1,2-Propanedithiol814-67-543 % similar 2-Bromopentane107-81-339 % similar (+)-2-Pentanol26184-62-339 % similar 2,3-Dimethylhexane584-94-139 % similar 3-Methylhexane589-34-439 % similar

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

Same formula

1-Pentanethiol110-66-7 2-Methyl-2-butanethiol1679-09-0 2-Methyl-1-butanethiol1878-18-8 3-Methyl-2-butanethiol2084-18-6 Ethyl propyl sulfide4110-50-3 3-Methyl-1-butanethiol541-31-1 Butyl methyl sulfide628-29-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook