2-Propanethiol

C3H8SCAS 75-33-276.16 g/mol

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SH
Thiol

Properties

Molecular formula
C3H8S
Molar mass
76.16 g/mol
Exact mass
76.0347 Da
Density
0.8143 g/mL (at 20 °C)
Melting point
−130.5 °C
Boiling point
52.5 °C
pKa
10.86
Flash point
-34.4 °C (open cup)
logP
1.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 1,479 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
75-33-2
SMILES
CC(C)S
InChIKey
KJRCEJOSASVSRA-UHFFFAOYSA-N
InChI
InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Isopropyl mercaptan
  • Isopropanethiol
  • Isopropylthiol
  • 2-Mercaptopropane
  • 1-Methylethanethiol
  • 2-Propylmercaptan
  • i-Propylthiol
  • NSC 87537
  • i-Propanethiol

Work with 2-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

2,3-Butanedithiol4532-64-338 % similar 3-Methyl-2-butanethiol2084-18-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propanethiol107-03-9 Ethyl methyl sulfide624-89-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook