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13164-79-9 | 4-Pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-5-propyl-2-thioxo-
CAS No: 13164-79-9 Catalog No: AG000ZJR MDL No:
Product Description
Catalog Number:
AG000ZJR
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-5-propyl-2-thioxo-
CAS Number:
13164-79-9
Molecular Formula:
C8H11N3O2S
Molecular Weight:
213.2568
IUPAC Name:
4-amino-5-propyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C8H11N3O2S/c1-2-3-4-5(7(12)13)10-8(14)11-6(4)9/h2-3H2,1H3,(H,12,13)(H3,9,10,11,14)
InChI Key:
BXDQGMQFXSGRRB-UHFFFAOYSA-N
SMILES:
CCCc1c(N)[nH]c(=S)nc1C(=O)O
NSC Number:
154932
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.255g/mol
Monoisotopic Mass:
213.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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