chempirical

Propylene sulfide

C3H6SCAS 1072-43-174.14 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C3H6S
Molar mass
74.14 g/mol
Exact mass
74.0190 Da
Density
0.9588 g/mL (at 20 °C)
Melting point
−91 °C
Boiling point
72.5 °C
logP
1.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

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

Aggregated from 40 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+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
1072-43-1
SMILES
CC1CS1
InChIKey
MBNVSWHUJDDZRH-UHFFFAOYSA-N
InChI
InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Thiirane, 2-methyl-
  • Propane, 1,2-epithio-
  • Thiirane, methyl-
  • 2-Methylthiirane
  • Propene sulfide
  • Propylene episulfide
  • 1,2-Epithiopropane
  • Methylthiirane
  • Epithiopropane
  • 1,2-Propylene sulfide
  • Dl-Propylene sulfide
  • R,S-Propylene sulfide
  • NSC 36643
  • NSC 48100

Work with Propylene sulfide

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

Bis(2-methylpropyl) disulfide1518-72-533 % similar 2-Methyl-1,3-dithiane6007-26-730 % similar

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

Same formula

Thietane287-27-4 Allyl mercaptan870-23-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook