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14943-74-9 | 1,3,5-Triazine-2(1H)-thione, 4-amino-1-phenyl-6-(phenylamino)-
CAS No: 14943-74-9 Catalog No: AG001LP1 MDL No:
Product Description
Catalog Number:
AG001LP1
Chemical Name:
1,3,5-Triazine-2(1H)-thione, 4-amino-1-phenyl-6-(phenylamino)-
CAS Number:
14943-74-9
Molecular Formula:
C15H13N5S
Molecular Weight:
295.3622
IUPAC Name:
4-amino-6-anilino-1-phenyl-1,3,5-triazine-2-thione
InChI:
InChI=1S/C15H13N5S/c16-13-18-14(17-11-7-3-1-4-8-11)20(15(21)19-13)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,21)
InChI Key:
OXDVTIULLSBXKL-UHFFFAOYSA-N
SMILES:
Nc1nc(Nc2ccccc2)n(c(=S)n1)c1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.364g/mol
Monoisotopic Mass:
295.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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