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15986-11-5 | 4H-Pyrazolo[3,4-d]pyrimidine-4-thione, 1,5-dihydro-6-methyl-
CAS No: 15986-11-5 Catalog No: AG001RGH MDL No:
Product Description
Catalog Number:
AG001RGH
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidine-4-thione, 1,5-dihydro-6-methyl-
CAS Number:
15986-11-5
Molecular Formula:
C6H6N4S
Molecular Weight:
166.2036
IUPAC Name:
6-methyl-1,7-dihydropyrazolo[3,4-d]pyrimidine-4-thione
InChI:
InChI=1S/C6H6N4S/c1-3-8-5-4(2-7-10-5)6(11)9-3/h2H,1H3,(H2,7,8,9,10,11)
InChI Key:
UKMWOQXXGRBQLC-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=S)c2c(n1)[nH]nc2
NSC Number:
515434
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.202g/mol
Monoisotopic Mass:
166.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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