3-[(3-Hydroxyphenyl)disulfanyl]phenol

C₁₂H₁₀O₂S₂CAS 21101-56-4250.33 g/mol

Open in Covalent MOL file

Disulfide Phenol

Properties

Molecular formula: C₁₂H₁₀O₂S₂
Molar mass: 250.33 g/mol
Exact mass: 250.0122 Da
logP: 3.90Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

21101-56-4

SMILES

C1=CC(=CC(=C1)SSC2=CC=CC(=C2)O)O

InChIKey

XBNOMKROXZGMFW-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8,13-14H

Weigh it out

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

Names and synonyms

1 names

3,3'-Dihydroxydiphenyl disulfide

Work with 3-[(3-Hydroxyphenyl)disulfanyl]phenol

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

Resorcinol108-46-360 % similar 3-(Trifluoromethylthio)phenol3823-40-357 % similar 3-Fluorophenol372-20-354 % similar 6,6′-Dithiobis[2-naphthalenol]6088-51-354 % similar 3,3'-Biphenyldiol612-76-052 % similar M-Cresol108-39-452 % similar 3-Chlorophenol108-43-048 % similar 3,3'-Dichloro diphenyl disulfide19742-92-848 % similar

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

Same formula

Bis(4-hydroxyphenyl)disulfide15015-57-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook