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583-40-4 | 7H-Purine-8-thiol
CAS No: 583-40-4 Catalog No: AG00IADC MDL No:MFCD00022638
Product Description
Catalog Number:
AG00IADC
Chemical Name:
7H-Purine-8-thiol
CAS Number:
583-40-4
Molecular Formula:
C5H4N4S
Molecular Weight:
152.1771
MDL Number:
MFCD00022638
IUPAC Name:
7,9-dihydropurine-8-thione
InChI:
InChI=1S/C5H4N4S/c10-5-8-3-1-6-2-7-4(3)9-5/h1-2H,(H2,6,7,8,9,10)
InChI Key:
VABISHCLVYMGAU-UHFFFAOYSA-N
SMILES:
Sc1nc2c([nH]1)cncn2
NSC Number:
23721
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.016g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.175g/mol
Monoisotopic Mass:
152.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Pan-pathway based interaction profiling of FDA-approved nucleoside and nucleobase analogs with enzymes of the human nucleotide metabolism. | PloS one 20120101 |
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