Phenyl disulfide - CAS 882-33-7

Catalog:	BB038790
Product Name:	Phenyl disulfide
CAS:	882-33-7
Synonyms:	(phenyldisulfanyl)benzene

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Computed Properties

IUPAC Name:	(phenyldisulfanyl)benzene
Description:	An impurity of Nelfinavir, which is a potent and orally bioavailable human immunodeficiency virus HIV-5 protease inhibitor.
Molecular Weight:	218.34
Molecular Formula:	C12H10S2
Canonical SMILES:	C1=CC=C(C=C1)SSC2=CC=CC=C2
InChI:	InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChI Key:	GUUVPOWQJOLRAS-UHFFFAOYSA-N
Boiling Point:	191-192 ℃
Melting Point:	60-61 ℃
Purity:	97 %
Density:	1.353 g/cm³
Solubility:	6.019 mg/L at 25 °C (est)
Appearance:	White solid
MDL:	MFCD00003065
LogP:	4.48600

Publication Number	Title	Priority Date
CN-113429247-A	Casting-molded detachable epoxy plastic bonded explosive	20210714
CN-113462018-A	Method and device for regenerating waste rubber	20210701
CN-113308183-A	Outer heat-proof coating of dual selfreparing	20210628
CN-113248415-A	Preparation method of ABT-737 key intermediate and preparation method of ABT-737	20210526
CN-113151861-A	Method for synthesizing carbon-supported monatomic catalyst through thermal shock and carbon-supported monatomic catalyst	20210428

PMID	Publication Date	Title	Journal
28383113	20170901	Diphenyl diselenide protects against methylmercury-induced inhibition of thioredoxin reductase and glutathione peroxidase in human neuroblastoma cells: a comparison with ebselen	Journal of applied toxicology : JAT
22567552	20120101	Use of hg-electroplated-pt ultramicroelectrode for determining elemental sulphur in naphtha samples	Journal of analytical methods in chemistry
22715388	20120101	Inhibition of biofilm formation, quorum sensing and infection in Pseudomonas aeruginosa by natural products-inspired organosulfur compounds	PloS one
21815225	20110905	Deprotonative metalation of aromatic compounds by using an amino-based lithium cuprate	Chemistry (Weinheim an der Bergstrasse, Germany)
21829189	20110809	Structure and compatibility of a magnesium electrolyte with a sulphur cathode	Nature communications

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
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[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

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GHS Hazard Statement:	H315 (99.28%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.02239267
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.02239267
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4