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96938-52-2 | 1-benzoyl-3-(6-methoxypyridin-3-yl)thiourea
CAS No: 96938-52-2 Catalog No: AG00IXCG MDL No:MFCD01567439
Product Description
Catalog Number:
AG00IXCG
Chemical Name:
1-benzoyl-3-(6-methoxypyridin-3-yl)thiourea
CAS Number:
96938-52-2
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
MDL Number:
MFCD01567439
IUPAC Name:
N-[(6-methoxypyridin-3-yl)carbamothioyl]benzamide
InChI:
InChI=1S/C14H13N3O2S/c1-19-12-8-7-11(9-15-12)16-14(20)17-13(18)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,20)
InChI Key:
VJPFOXARDAFIMI-UHFFFAOYSA-N
SMILES:
COc1ccc(cn1)NC(=S)NC(=O)c1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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