1,4-Dithiane-2,5-diol

C₄H₈O₂S₂CAS 40018-26-6152.23 g/mol

Open in Covalent MOL file

Alcohol Sulfide

Properties

Molecular formula: C₄H₈O₂S₂
Molar mass: 152.23 g/mol
Exact mass: 151.9966 Da
Melting point: 138–143 °C
logP: 0.10Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Identifiers

CAS number

40018-26-6

SMILES

OC1CSC(O)CS1

InChIKey

YUIOPHXTILULQC-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2

Weigh it out

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

Names and synonyms

5 names

2,5-Dihydroxy-1,4-dithiane
Mercaptoacetaldehyde dimer
p-Dithiane-2,5-diol
1,4-Dithian-2,5-diol
NSC 106280

Work with 1,4-Dithiane-2,5-diol

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

Elsewhere

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