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N,N-DIBENZYLTHIOUREA

CAS No.:
1424-14-2
Catalog Number:
AG003SIN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003SIN
Chemical Name:
N,N-DIBENZYLTHIOUREA
CAS Number:
1424-14-2
MDL Number:
MFCD00022013
IUPAC Name:
1,3-dibenzylthiourea
InChI:
InChI=1S/C15H16N2S/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
InChI Key:
LQZPSWMMTICWHD-UHFFFAOYSA-N
EC Number:
215-837-9
NSC Number:
37141
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.103g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.367g/mol
Monoisotopic Mass:
256.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Chain branching approach in structure modification of TRPV1 receptor antagonist MK056 and its analogs. Archives of pharmacal research 20120201
Tricyclic 3,4-dihydropyrimidine-2-thione derivatives as potent TRPA1 antagonists. Bioorganic & medicinal chemistry letters 20120115
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Chain-branched 1,3-dibenzylthioureas as vanilloid receptor 1 antagonists. Bioorganic & medicinal chemistry letters 20040405
Effects of benzyl isothiocyanate on rat and human cytochromes P450: identification of metabolites formed by P450 2B1. The Journal of pharmacology and experimental therapeutics 20010101
Properties