Dibenzyl sulfide - CAS 538-74-9

Catalog:	BB028383
Product Name:	Dibenzyl sulfide
CAS:	538-74-9
Synonyms:	benzylsulfanylmethylbenzene

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	benzylsulfanylmethylbenzene
Description:	Dibenzyl sulfide (CAS# 538-74-9 ) is a useful research chemical.
Molecular Weight:	214.33
Molecular Formula:	C14H14S
Canonical SMILES:	C1=CC=C(C=C1)CSCC2=CC=CC=C2
InChI:	InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:	LUFPJJNWMYZRQE-UHFFFAOYSA-N
Boiling Point:	131 °C / 2 mmHg
Melting Point:	120 to 122 °F
Flash Point:	greater than 230 °F
Density:	1.0712 g/cm³ (50 C)
Appearance:	COLORLESS PLATES
MDL:	MFCD00004784
LogP:	4.12000
Vapor Pressure:	0.000289 [mmHg]

Publication Number	Title	Priority Date
WO-2021122745-A1	4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use	20191216
US-2021189080-A1	Composition for forming hard coat, method for producing article having hard coat, hard coat, hard-coated article, and silane-modified alicyclic compound	20191212
WO-2021119375-A1	Refrigerant compositions comprising r-32, r-134a, and cf3i	20191212
WO-2021106975-A1	Heterocyclic compound	20191127
WO-2021107872-A1	Composites, methods and uses thereof	20191126

PMID	Publication Date	Title	Journal
22101712	20120101	Surface-enhanced Raman spectroscopy of organic molecules adsorbed on metallic nanoparticles	Advances in experimental medicine and biology
21875806	20111001	Structure-activity relationship study of pyridazine derivatives as glutamate transporter EAAT2 activators	Bioorganic & medicinal chemistry letters
21522682	20101218	Dibenzyl sulfoxide	Acta crystallographica. Section E, Structure reports online
20715797	20100909	Functional groups and sulfur K-edge XANES spectra: divalent sulfur and disulfides	The journal of physical chemistry. A
19908267	20091214	A combined theoretical and experimental investigation on the enantioselective oxidation of aryl benzyl sulfides in the presence of a chiral titanium catalyst	Chemistry (Weinheim an der Bergstrasse, Germany)

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[5310-68-9]
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[52147-97-4]
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Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.08162162
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.08162162
Rotatable Bond Count:	4
Topological Polar Surface Area:	25.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9