1,3-Dithiane

C₄H₈S₂CAS 505-23-7120.23 g/mol

Open in Covalent MOL file

Sulfide

Properties

Molecular formula: C₄H₈S₂
Molar mass: 120.23 g/mol
Exact mass: 120.0067 Da
Melting point: 54 °C
logP: 1.81Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

505-23-7

SMILES

C1CSCSC1

InChIKey

WQADWIOXOXRPLN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

m-Dithiane
1,3-Dithiacyclohexane
NSC 157830

Reactions

1,3-Dithianeproduct

Work with 1,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thietane287-27-464 % similar 1,3-Dithiolane4829-04-364 % similar Tetrahydrothiophene110-01-050 % similar Thiane1613-51-046 % similar 1,3,5-Trithiane291-21-445 % similar Bis(2-hydroxyethylthio)methane44860-68-644 % similar Dibutyl sulfide544-40-135 % similar Thiirane420-12-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Allyl methyl disulfide2179-58-0 1,4-Dithiane505-29-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook