Thietane

C₃H₆SCAS 287-27-474.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₆S
Molar mass: 74.14 g/mol
Exact mass: 74.0190 Da
Density: 1.0284 g/mL (at 23 °C)
Melting point: −73.2 °C
Boiling point: 95 °C
logP: 1.12Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

287-27-4

SMILES

C1CSC1

InChIKey

XSROQCDVUIHRSI-UHFFFAOYSA-N

InChI

InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2

Weigh it out

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

Names and synonyms

4 names

Trimethylene sulfide
Propane, 1,3-epithio-
Thiacyclobutane
NSC 56443

Work with Thietane

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

Tetrahydrothiophene110-01-078 % similar Thiane1613-51-070 % similar 1,3-Dithiane505-23-764 % similar Thiirane420-12-256 % similar 1,4-Dithiane505-29-356 % similar Dibutyl sulfide544-40-150 % similar Pentyl sulfide872-10-647 % similar Dodecyl sulfide2469-45-644 % similar

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

Same formula

Propylene sulfide1072-43-1 Allyl mercaptan870-23-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia