2-(4′-Hydroxyphenyl)-1,3-dithiolane

C₉H₁₀OS₂CAS 22068-49-1198.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀OS₂
Molar mass: 198.30 g/mol
Exact mass: 198.0173 Da
Melting point: 119–120 °C
logP: 2.87Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

22068-49-1

SMILES

Oc1ccc(C2SCCS2)cc1

InChIKey

LTNPCGWCUVDEEY-UHFFFAOYSA-N

InChI

InChI=1S/C9H10OS2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9-10H,5-6H2

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

Names and synonyms

5 names

Phenol, 4-(1,3-dithiolan-2-yl)-
Phenol, p-1,3-dithiolan-2-yl-
4-(1,3-Dithiolan-2-yl)phenol
2-(4-Hydroxyphenyl)-1,3-dithiolane
NSC 132849

Work with 2-(4′-Hydroxyphenyl)-1,3-dithiolane

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

4,4′,4′′-Methylidynetris[phenol]603-44-150 % similar Octopamine104-14-347 % similar 4-Cyclohexylphenol1131-60-845 % similar Hexestrol84-16-245 % similar 4-Isopropylphenol99-89-844 % similar Hydroquinone123-31-943 % similar Synephrine582-84-342 % similar (±)-Octopamine hydrochloride770-05-842 % similar

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

Elsewhere

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