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866049-10-7 | 1-benzoyl-3-(quinolin-6-yl)thiourea
CAS No: 866049-10-7 Catalog No: AG00IUVB MDL No:MFCD03305725
Product Description
Catalog Number:
AG00IUVB
Chemical Name:
1-benzoyl-3-(quinolin-6-yl)thiourea
CAS Number:
866049-10-7
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
MDL Number:
MFCD03305725
IUPAC Name:
N-(quinolin-6-ylcarbamothioyl)benzamide
InChI:
InChI=1S/C17H13N3OS/c21-16(12-5-2-1-3-6-12)20-17(22)19-14-8-9-15-13(11-14)7-4-10-18-15/h1-11H,(H2,19,20,21,22)
InChI Key:
SAWCSOLPWGGICX-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccccc1)Nc1ccc2c(c1)cccn2
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
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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