3,6-Dithia-1,8-octanediol

C₆H₁₄O₂S₂CAS 5244-34-8182.30 g/mol

Open in Covalent MOL file

Alcohol Sulfide

Properties

Molecular formula: C₆H₁₄O₂S₂
Molar mass: 182.30 g/mol
Exact mass: 182.0435 Da
Melting point: 56 °C
logP: 0.44Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

Identifiers

CAS number

5244-34-8

SMILES

OCCSCCSCCO

InChIKey

PDHFSBXFZGYBIP-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

Weigh it out

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

Names and synonyms

17 names · show all

Ethanol, 2,2′-[1,2-ethanediylbis(thio)]bis-
Ethanol, 2,2′-(ethylenedithio)di-
2,2′-[1,2-Ethanediylbis(thio)]bis[ethanol]
1,8-Dihydroxy-3,6-dithiaoctane
1,2-Bis(2-hydroxyethylthio)ethane
1,10-Dioxa-4,7-dithiadecane
1,2-Bis(β-hydroxyethylthio)ethane
Di(β-hydroxyethyl)ethylene disulfide
3,6-Dithiaoctan-1,8-diol
1,8-Dihydroxy-3,6-dithiooctane
2,2′-(Ethylenedithio)diethanol
SZ 3
Dithiotriethylene glycol
1,2-Bis(2-hydroxyethylsulfanyl)ethane
2,2′-Ethylenedithiobis(ethanol)
2,2′-(Ethane-1,2-diylbis(sulfanediyl))diethanol
2-[2-(2-Hydroxyethylsulfanyl)ethylsulfanyl]ethanol

Work with 3,6-Dithia-1,8-octanediol

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

Thiodiglycol111-48-892 % similar Bis(2-hydroxyethylthio)methane44860-68-667 % similar 2-(Ethylthio)ethanol110-77-056 % similar Hydroxyethyl disulfide1892-29-153 % similar 1,4-Dithiane505-29-350 % similar 2-(Methylthio)ethanol5271-38-544 % similar 2-[(Phenylmethyl)thio]ethanol3878-41-942 % similar Ethylene glycol107-21-138 % similar

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

Same formula

S-Propyl propanethiosulfonate1113-13-9 2,2′-(Ethylenedioxy)diethanethiol14970-87-7

Elsewhere

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