1,3-Dithiolane

C3H6S2CAS 4829-04-3106.20 g/mol

Open in Covalent MOL file
SS
Sulfide

Properties

Molecular formula
C3H6S2
Molar mass
106.20 g/mol
Exact mass
105.9911 Da
Density
1.259 g/mL (at 17 °C)
Melting point
−50 °C
Boiling point
175 °C
logP
1.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
4829-04-3
SMILES
C1CSCS1
InChIKey
IMLSAISZLJGWPP-UHFFFAOYSA-N
InChI
InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2

Weigh it out

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

Names and synonyms

3 names
  • 1,3-Dithiacyclopentane
  • Dithiolane
  • NSC 193357

Work with 1,3-Dithiolane

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

1,3-Dithiane505-23-764 % similar 1,3,5-Trithiane291-21-456 % similar Thiirane420-12-256 % similar 1,4-Dithiane505-29-356 % similar Bis(2-hydroxyethylthio)methane44860-68-650 % similar 2,2′-Thiobis[ethanamine]871-76-136 % similar Tetrahydrothiophene110-01-033 % similar Thietane287-27-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook