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24521-76-4 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5,6,7-tetrahydro-6-thioxo-
CAS No: 24521-76-4 Catalog No: AG002OEP MDL No:MFCD09284587
Product Description
Catalog Number:
AG002OEP
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5,6,7-tetrahydro-6-thioxo-
CAS Number:
24521-76-4
Molecular Formula:
C5H4N4OS
Molecular Weight:
168.1765
MDL Number:
MFCD09284587
IUPAC Name:
6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChI Key:
SXRSXYWROQWSGJ-UHFFFAOYSA-N
SMILES:
S=c1[nH]c(=O)c2c([nH]1)[nH]nc2
EC Number:
246-296-7
NSC Number:
1391
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.174g/mol
Monoisotopic Mass:
168.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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