Diphenyl sulfide - CAS 139-66-2

Catalog:	BB008974
Product Name:	Diphenyl sulfide
CAS:	139-66-2
Synonyms:	phenylsulfanylbenzene

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Computed Properties

IUPAC Name:	phenylsulfanylbenzene
Description:	Diphenyl sulfide (CAS# 139-66-2) is an aromatic organosulfur compound. Diphenyl Sulfide is metabolite of the fungicide Edifenphos as well as a potential impurity of Fenticonazole Nitrate (F279250).
Molecular Weight:	186.27
Molecular Formula:	C12H10S
Canonical SMILES:	C1=CC=C(C=C1)SC2=CC=CC=C2
InChI:	InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChI Key:	LTYMSROWYAPPGB-UHFFFAOYSA-N
Boiling Point:	296 ℃
Density:	1.113 g/cm³
Appearance:	Colorless nearly odorless liquid
MDL:	MFCD00003064
LogP:	3.83780

Publication Number	Title	Priority Date
US-2021189280-A1	Lubricant Composition Comprising an Antioxidant Composition	20191220
WO-2021124030-A1	Lubricating oil compositions comprising a polyalphaolefin	20191220
WO-2021125132-A1	Carbamoyl oxime compound, and polymerization initiator and polymerizable composition containing said compound	20191220
WO-2021127622-A1	Lubricant composition comprising an antioxidant composition	20191220
EP-3838998-A1	Biorenewable hydrocarbon compositions and their uses	20191219

PMID	Publication Date	Title	Journal
22546637	20120801	Synthesis and QSPR study on environment-related properties of polychlorinated diphenyl sulfides (PCDPSs)	Chemosphere
22549922	20120701	Acute and subacute oral toxicity of polychlorinated diphenyl sulfides in mice: determining LD50 and assessing the status of hepatic oxidative stress	Environmental toxicology and chemistry
22223076	20120307	The oxidative properties of a manganese(IV) hydroperoxide moiety and its relationships with the corresponding manganese(IV) oxo and hydroxo moieties	Dalton transactions (Cambridge, England : 2003)
22051702	20120114	Diruthenium(II,III) tetramidates as a new class of oxygenation catalysts	Dalton transactions (Cambridge, England : 2003)
22607449	20120101	HiTSEE KNIME: a visualization tool for hit selection and analysis in high-throughput screening experiments for the KNIME platform	BMC bioinformatics

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Related Functional Groups

Sulfur Compounds

[123-43-3]
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[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1879-16-9]
4-Methoxythioanisole
[843673-72-3]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, P391, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.05032149
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.05032149
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5