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30162-38-0

30162-38-0 | 1-benzoyl-3-(quinolin-3-yl)thiourea

CAS No: 30162-38-0 Catalog No: AG00IUVC MDL No:MFCD01568683

Product Description

Catalog Number:
AG00IUVC
Chemical Name:
1-benzoyl-3-(quinolin-3-yl)thiourea
CAS Number:
30162-38-0
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
MDL Number:
MFCD01568683
IUPAC Name:
N-(quinolin-3-ylcarbamothioyl)benzamide
InChI:
InChI=1S/C17H13N3OS/c21-16(12-6-2-1-3-7-12)20-17(22)19-14-10-13-8-4-5-9-15(13)18-11-14/h1-11H,(H2,19,20,21,22)
InChI Key:
MKSUYNQRSDJFFK-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccccc1)Nc1cnc2c(c1)cccc2

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.078g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.371g/mol
Monoisotopic Mass:
307.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Literature

Title Journal
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

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