3,3'-Dihydroxydiphenyl disulfide - CAS 21101-56-4

Catalog:	BB016605
Product Name:	3,3'-Dihydroxydiphenyl disulfide
CAS:	21101-56-4
Synonyms:	3-[(3-hydroxyphenyl)disulfanyl]phenol

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Computed Properties

IUPAC Name:	3-[(3-hydroxyphenyl)disulfanyl]phenol
Description:	3,3'-Dihydroxydiphenyl disulfide (CAS# 21101-56-4) is a useful research chemical.
Molecular Weight:	250.34
Molecular Formula:	C12H10O2S2
Canonical SMILES:	C1=CC(=CC(=C1)SSC2=CC=CC(=C2)O)O
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
InChI Key:	XBNOMKROXZGMFW-UHFFFAOYSA-N
Boiling Point:	437.3 °C at 760 mmHg
Purity:	98 %
Density:	1.44 g/cm³
Appearance:	Powder
MDL:	MFCD03094663
LogP:	3.89720

Publication Number	Title	Priority Date
CN-112979908-A	Rosin-based self-repairing polymer and synthetic method and application thereof	20210225
CN-112430390-A	Wire insulating sheath material with self-repairing function and preparation method thereof	20201125
CN-112457756-A	Insulating coating and preparation method thereof	20201125
CN-112385659-A	Application of disulfide bond compound in prevention and treatment of microbial diseases	20201009
CN-113493576-A	Rubber composition and rubber product	20200401

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Related Functional Groups

Sulfur Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.01222190
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	250.01222190
Rotatable Bond Count:	3
Topological Polar Surface Area:	91.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7