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15989-50-1 | 1,3,5-Triazine-2(1H)-thione, 4,6-bis(phenylamino)-
CAS No: 15989-50-1 Catalog No: AG001RHV MDL No:
Product Description
Catalog Number:
AG001RHV
Chemical Name:
1,3,5-Triazine-2(1H)-thione, 4,6-bis(phenylamino)-
CAS Number:
15989-50-1
Molecular Formula:
C15H13N5S
Molecular Weight:
295.3622
IUPAC Name:
2,6-dianilino-1H-1,3,5-triazine-4-thione
InChI:
InChI=1S/C15H13N5S/c21-15-19-13(16-11-7-3-1-4-8-11)18-14(20-15)17-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)
InChI Key:
ZHVAHDKGUHZVSB-UHFFFAOYSA-N
SMILES:
S=c1nc(Nc2ccccc2)nc([nH]1)Nc1ccccc1
EC Number:
240-128-6
Properties
Complexity:
395
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:
3
Isotope Atom Count:
0
Molecular Weight:
295.364g/mol
Monoisotopic Mass:
295.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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