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5450-59-9 | 2-Mercapto-1-methyl-1H-imidazo[4,5-d]pyridazine-4,7-diol
CAS No: 5450-59-9 Catalog No: AG00E0YE MDL No:
Product Description
Catalog Number:
AG00E0YE
Chemical Name:
2-Mercapto-1-methyl-1H-imidazo[4,5-d]pyridazine-4,7-diol
CAS Number:
5450-59-9
IUPAC Name:
3-methyl-2-sulfanylidene-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
InChI:
InChI=1S/C6H6N4O2S/c1-10-3-2(7-6(10)13)4(11)8-9-5(3)12/h1H3,(H,7,13)(H,8,11)(H,9,12)
InChI Key:
DMAKXISAQGBPBI-UHFFFAOYSA-N
NSC Number:
10007
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.2g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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