1,4-Dithiane

C4H8S2CAS 505-29-3120.23 g/mol

Open in Covalent MOL file
SS
Sulfide

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
Water solubility
3 g/L (25 °C)
logP
1.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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Names and synonyms

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

Reactions

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