2H-Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo-


Chemical Name: 2H-Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo-
CAS Number: 2002-59-7
Product Number: AG002CM1(AGN-PC-0K2UIA)
Synonyms:
MDL No:
Molecular Formula: C5H4N4OS
Molecular Weight: 168.1765

Identification/Properties


Computed Properties
Molecular Weight:
168.174g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
168.011g/mol
Monoisotopic Mass:
168.011g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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