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70011-76-6 | 1-Methyl-4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
CAS No: 70011-76-6 Catalog No: AG005GKM MDL No:
Product Description
Catalog Number:
AG005GKM
Chemical Name:
1-Methyl-4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
70011-76-6
Molecular Formula:
C8H10N4S2
Molecular Weight:
226.3218
IUPAC Name:
1-methyl-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C8H10N4S2/c1-12-6-5(4-9-12)7(13-2)11-8(10-6)14-3/h4H,1-3H3
InChI Key:
GKDALGXZEYMSLQ-UHFFFAOYSA-N
SMILES:
CSc1nc(SC)c2c(n1)n(C)nc2
NSC Number:
7874
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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