1,4-Dithiane

C₄H₈S₂CAS 505-29-3120.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈S₂
Molar mass: 120.23 g/mol
Exact mass: 120.0067 Da
Melting point: 112.3 °C
Boiling point: 199.5 °C
logP: 1.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

505-29-3

SMILES

C1CSCCS1

InChIKey

LOZWAPSEEHRYPG-UHFFFAOYSA-N

InChI

InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2

Weigh it out

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

Names and synonyms

4 names

p-Dithiane
1,4-Dithiin, tetrahydro-
1,4-Dithiacyclohexane
NSC 24178

Work with 1,4-Dithiane

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

Thiirane420-12-2100 % similar Tetrahydrothiophene110-01-056 % similar Thietane287-27-456 % similar 1,3-Dithiolane4829-04-356 % similar Thiane1613-51-050 % similar 3,6-Dithia-1,8-octanediol5244-34-850 % similar Propyl sulfide111-47-742 % similar Thiodiglycol111-48-842 % similar

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

Same formula

Allyl methyl disulfide2179-58-0 1,3-Dithiane505-23-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook