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Home > Quinoline > 861208-64-2
861208-64-2 | 1-benzoyl-3-(quinolin-5-yl)thiourea
CAS No: 861208-64-2 Catalog No: AG00IS63 MDL No:MFCD03305521
Product Description
Catalog Number:
AG00IS63
Chemical Name:
1-benzoyl-3-(quinolin-5-yl)thiourea
CAS Number:
861208-64-2
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
MDL Number:
MFCD03305521
IUPAC Name:
N-(quinolin-5-ylcarbamothioyl)benzamide
InChI:
InChI=1S/C17H13N3OS/c21-16(12-6-2-1-3-7-12)20-17(22)19-15-10-4-9-14-13(15)8-5-11-18-14/h1-11H,(H2,19,20,21,22)
InChI Key:
ZMGIOHDRVGQVCU-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccc2c1cccn2)NC(=O)c1ccccc1
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:
3.8
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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