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100565-58-0 | 7H-Pyrazolo[4,3-d]pyrimidine-7-thione, 2,6-dihydro-3-hydroxy-2-methyl-
CAS No: 100565-58-0 Catalog No: AG0002CK MDL No:
Product Description
Catalog Number:
AG0002CK
Chemical Name:
7H-Pyrazolo[4,3-d]pyrimidine-7-thione, 2,6-dihydro-3-hydroxy-2-methyl-
CAS Number:
100565-58-0
Molecular Formula:
C6H6N4OS
Molecular Weight:
182.2030
IUPAC Name:
2-methyl-7-sulfanylidene-1,4-dihydropyrazolo[4,3-d]pyrimidin-3-one
InChI:
InChI=1S/C6H6N4OS/c1-10-6(11)4-3(9-10)5(12)8-2-7-4/h2,9H,1H3,(H,7,8,12)
InChI Key:
URMCJWILMOSHLQ-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1O)nc[nH]c2=S
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.201g/mol
Monoisotopic Mass:
182.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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