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1190399-72-4 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-3-methyl-6-(methylthio)-
CAS No: 1190399-72-4 Catalog No: AG000I3Q MDL No:
Product Description
Catalog Number:
AG000I3Q
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-3-methyl-6-(methylthio)-
CAS Number:
1190399-72-4
Molecular Formula:
C7H7ClN4S
Molecular Weight:
214.6753
IUPAC Name:
4-chloro-3-methyl-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C7H7ClN4S/c1-3-4-5(8)9-7(13-2)10-6(4)12-11-3/h1-2H3,(H,9,10,11,12)
InChI Key:
QWQOORFSBIQZND-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)c2c(n1)[nH]nc2C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.671g/mol
Monoisotopic Mass:
214.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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