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1220517-81-6 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-ethyl-6-(methylthio)-
CAS No: 1220517-81-6 Catalog No: AG0016O9 MDL No:MFCD19105129
Product Description
Catalog Number:
AG0016O9
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-ethyl-6-(methylthio)-
CAS Number:
1220517-81-6
Molecular Formula:
C8H9ClN4S
Molecular Weight:
228.7019
MDL Number:
MFCD19105129
IUPAC Name:
4-chloro-1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C8H9ClN4S/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)14-2/h4H,3H2,1-2H3
InChI Key:
GJICGEFYYJMUBA-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)c2c(n1)n(CC)nc2
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.698g/mol
Monoisotopic Mass:
228.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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