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Home > Imidazoles > 69093-64-7
69093-64-7 | 5H-Imidazo[4,5-d]-1,2,3-triazine, 5-methyl-4-(methylthio)-
CAS No: 69093-64-7 Catalog No: AG006CXM MDL No:
Product Description
Catalog Number:
AG006CXM
Chemical Name:
5H-Imidazo[4,5-d]-1,2,3-triazine, 5-methyl-4-(methylthio)-
CAS Number:
69093-64-7
Molecular Formula:
C6H7N5S
Molecular Weight:
181.2183
IUPAC Name:
5-methyl-4-methylsulfanylimidazo[4,5-d]triazine
InChI:
InChI=1S/C6H7N5S/c1-11-3-7-5-4(11)6(12-2)9-10-8-5/h3H,1-2H3
InChI Key:
WBERLMUJGJOPAJ-UHFFFAOYSA-N
SMILES:
CSc1nnnc2c1n(C)cn2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.217g/mol
Monoisotopic Mass:
181.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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