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16490-16-7 | 4-Pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-2-thioxo-
CAS No: 16490-16-7 Catalog No: AG001V4K MDL No:
Product Description
Catalog Number:
AG001V4K
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-2-thioxo-
CAS Number:
16490-16-7
Molecular Formula:
C5H5N3O2S
Molecular Weight:
171.1771
IUPAC Name:
4-amino-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C5H5N3O2S/c6-3-1-2(4(9)10)7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
InChI Key:
CVGSFWTYSNYOKF-UHFFFAOYSA-N
SMILES:
Nc1cc(nc(=S)[nH]1)C(=O)O
NSC Number:
52296
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.174g/mol
Monoisotopic Mass:
171.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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