Bis(4-hydroxyphenyl)disulfide

C₁₂H₁₀O₂S₂CAS 15015-57-3250.33 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

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

15015-57-3

SMILES

C1=CC(=CC=C1O)SSC2=CC=C(C=C2)O

InChIKey

XGKGITBBMXTKTE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-[(4-Hydroxyphenyl)disulfanyl]phenol

Work with Bis(4-hydroxyphenyl)disulfide

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′-Thiodiphenol2664-63-367 % similar Hydroquinone123-31-960 % similar 4-(Methylthio)phenol1073-72-957 % similar 6,6′-Dithiobis[2-naphthalenol]6088-51-357 % similar P-Cresol106-44-550 % similar 4-(Trifluoromethylthio)phenol461-84-750 % similar 4,4′-Dihydroxybiphenyl92-88-650 % similar p-Tolyl disulfide103-19-545 % similar

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

Same formula

3-[(3-Hydroxyphenyl)disulfanyl]phenol21101-56-4

Elsewhere

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