N'-Benzoyl-N,N-diethylthiourea - CAS 58328-36-2

Catalog:	BB030004
Product Name:	N'-Benzoyl-N,N-diethylthiourea
CAS:	58328-36-2
Synonyms:	N-[diethylamino(sulfanylidene)methyl]benzamide; N-(diethylcarbamothioyl)benzamide

Technical Data

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Computed Properties

QC Data

IUPAC Name:	N-(diethylcarbamothioyl)benzamide
Description:	N'-Benzoyl-N,N-diethylthiourea (CAS# 58328-36-2 ) is a useful research chemical.
Molecular Weight:	236.33
Molecular Formula:	C12H16N2OS
Canonical SMILES:	CCN(CC)C(=S)NC(=O)C1=CC=CC=C1
InChI:	InChI=1S/C12H16N2OS/c1-3-14(4-2)12(16)13-11(15)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,15,16)
InChI Key:	UQXSQVXCEQMCPC-UHFFFAOYSA-N
LogP:	2.43400

Publication Number	Title	Priority Date
WO-2020035580-A1	Two step adhesive systems	20180816
US-2021171810-A1	Two Step Adhesive System	20180816
US-10590311-B2	Accelerators for two part curable compositions	20120627
US-2014000807-A1	Accelerators for two step adhesive systems	20120627
US-2014004353-A1	Accelerators for curable compositions	20120627

PMID	Publication Date	Title	Journal
21984488	20111214	Monodentate coordination of N-[di(phenyl/ethyl)carbamothioyl]benzamide ligands: synthesis, crystal structure and catalytic oxidation property of Cu(I) complexes	Dalton transactions (Cambridge, England : 2003)
21580691	20100320	N'-Benzoyl-N,N-diethyl-thio-urea: a monoclinic polymorph	Acta crystallographica. Section E, Structure reports online
17723579	20060804	Microwave-assisted UV-digestion procedure for the accurate determination of Pd in natural waters	Analytica chimica acta
18365106	20050101	Synthesis, characterization and antitumor activity of copper(II) complexes, [CuL2] [HL1-3=N,N-diethyl-N'-(R-benzoyl)thiourea (R=H, o-Cl and p-NO2)]	Bioinorganic chemistry and applications
11530982	20010905	Determination of palladium in human urine by high-performance liquid chromatography and ultraviolet detection after ultraviolet photolysis and selective solid-phase extraction	Journal of chromatography. B, Biomedical sciences and applications

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Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.09833431
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.09833431
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3