Propanethiol

C3H8SCAS 107-03-976.16 g/mol

Open in Covalent MOL file
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
Flash point
-20 °C
Water solubility
1.9 g/L (25 °C)
logP
1.33Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,512 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, P501

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