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Home > Imidazoles > 774462-47-4
774462-47-4 | Imidazo[5,1-f][1,2,4]triazine,5-methyl-2-(methylthio)-7-phenyl-
CAS No: 774462-47-4 Catalog No: AG008MUS MDL No:
Product Description
Catalog Number:
AG008MUS
Chemical Name:
Imidazo[5,1-f][1,2,4]triazine,5-methyl-2-(methylthio)-7-phenyl-
CAS Number:
774462-47-4
Molecular Formula:
C13H12N4S
Molecular Weight:
256.3262
IUPAC Name:
5-methyl-2-methylsulfanyl-7-phenylimidazo[5,1-f][1,2,4]triazine
InChI:
InChI=1S/C13H12N4S/c1-9-11-8-14-13(18-2)16-17(11)12(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
ZRUCUPQGMSDHPV-UHFFFAOYSA-N
SMILES:
CSc1ncc2n(n1)c(nc2C)c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.327g/mol
Monoisotopic Mass:
256.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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