chempirical

Allyl mercaptan

C3H6SCAS 870-23-574.14 g/mol

Open in Covalent MOL file
SH
AlkeneThiol

Properties

Molecular formula
C3H6S
Molar mass
74.14 g/mol
Exact mass
74.0190 Da
Density
0.925 g/mL (at 23 °C)
Melting point
175–176 °C
Boiling point
65 °C
logP
1.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,449 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, P303+P361+P353, P304+P340, P305+P351+P338, P317, P330, P337+P317, P370+P378, P403+P235, P501

Identifiers

CAS number
870-23-5
SMILES
C=CCS
InChIKey
ULIKDJVNUXNQHS-UHFFFAOYSA-N
InChI
InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2

Weigh it out

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

Names and synonyms

5 names
  • 2-Propene-1-thiol
  • Allylthiol
  • 1-Propene-3-thiol
  • NSC 6744
  • 2-Propen-1-thiol

Work with Allyl mercaptan

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

1,4-Pentadiene591-93-540 % similar 1,5-Hexadiene592-42-740 % similar 1,6-Heptadiene3070-53-935 % similar 1,7-Octadiene3710-30-335 % similar Triallylamine102-70-533 % similar Allyl bromide106-95-633 % similar 1-Butene106-98-933 % similar Allyl chloride107-05-133 % similar

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

Same formula

Propylene sulfide1072-43-1 Thietane287-27-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia