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126867-54-7 | 1H-Pyrazolo[3,4-d]pyrimidine, 4,6-bis(methylthio)-1-propyl-
CAS No: 126867-54-7 Catalog No: AG000TDU MDL No:
Product Description
Catalog Number:
AG000TDU
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4,6-bis(methylthio)-1-propyl-
CAS Number:
126867-54-7
Molecular Formula:
C10H14N4S2
Molecular Weight:
254.3750
IUPAC Name:
4,6-bis(methylsulfanyl)-1-propylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C10H14N4S2/c1-4-5-14-8-7(6-11-14)9(15-2)13-10(12-8)16-3/h6H,4-5H2,1-3H3
InChI Key:
PMSDDRHALKJYRW-UHFFFAOYSA-N
SMILES:
CCCn1ncc2c1nc(SC)nc2SC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.37g/mol
Monoisotopic Mass:
254.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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