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28689-57-8 | 2H-Imidazo[4,5-d]pyridazine-2-thione, 1,3-dihydro-4-methoxy-7-methyl-
CAS No: 28689-57-8 Catalog No: AG002W35 MDL No:
Product Description
Catalog Number:
AG002W35
Chemical Name:
2H-Imidazo[4,5-d]pyridazine-2-thione, 1,3-dihydro-4-methoxy-7-methyl-
CAS Number:
28689-57-8
Molecular Formula:
C7H8N4OS
Molecular Weight:
196.2296
IUPAC Name:
4-methoxy-7-methyl-1,3-dihydroimidazo[4,5-d]pyridazine-2-thione
InChI:
InChI=1S/C7H8N4OS/c1-3-4-5(9-7(13)8-4)6(12-2)11-10-3/h1-2H3,(H2,8,9,13)
InChI Key:
IGOSFFLDVHVZGA-UHFFFAOYSA-N
SMILES:
COc1nnc(c2c1[nH]c(=S)[nH]2)C
NSC Number:
69000
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.228g/mol
Monoisotopic Mass:
196.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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