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88067-14-5 | 1,3,5-Triazine-2,4-diamine, 6-(methylthio)-N-(4-phenyl-2-thiazolyl)-
CAS No: 88067-14-5 Catalog No: AG004EY4 MDL No:
Product Description
Catalog Number:
AG004EY4
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-(methylthio)-N-(4-phenyl-2-thiazolyl)-
CAS Number:
88067-14-5
Molecular Formula:
C13H12N6S2
Molecular Weight:
316.4046
IUPAC Name:
6-methylsulfanyl-2-N-(4-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C13H12N6S2/c1-20-12-17-10(14)16-11(18-12)19-13-15-9(7-21-13)8-5-3-2-4-6-8/h2-7H,1H3,(H3,14,15,16,17,18,19)
InChI Key:
DDQHIENGOZADLH-UHFFFAOYSA-N
SMILES:
CSc1nc(Nc2scc(n2)c2ccccc2)nc(n1)N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.401g/mol
Monoisotopic Mass:
316.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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