chempirical

Propanethiol

C3H8SCAS 107-03-976.16 g/mol

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SH
Thiol

Properties

Molecular formula
C3H8S
Molar mass
76.16 g/mol
Exact mass
76.0347 Da
Density
0.8411 g/mL (at 20 °C)
Melting point
−113.3 °C
Boiling point
67–68 °C
logP
1.33Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
107-03-9
SMILES
CCCS
InChIKey
SUVIGLJNEAMWEG-UHFFFAOYSA-N
InChI
InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Propanethiol
  • Propyl mercaptan
  • n-Propyl mercaptan
  • 1-Propyl mercaptan
  • n-Propanethiol
  • Propylthiol
  • n-Propylthiol
  • 1-Mercaptopropane
  • 1-Propylthiol

Work with Propanethiol

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

1-Butanethiol109-79-560 % similar 1-Pentanethiol110-66-756 % similar 1-Hexanethiol111-31-953 % similar 1-Octanethiol111-88-653 % similar 1-Dodecanethiol112-55-053 % similar 1-Decanethiol143-10-253 % similar 1-Nonanethiol1455-21-653 % similar 1-Heptanethiol1639-09-453 % similar

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

Same formula

Ethyl methyl sulfide624-89-5 2-Propanethiol75-33-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia