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84424-75-9 | 1,2,4-Triazine-6-carboxylicacid, 4-amino-2,3,4,5-tetrahydro-5-oxo-3-thioxo-
CAS No: 84424-75-9 Catalog No: AG0055OB MDL No:
Product Description
Catalog Number:
AG0055OB
Chemical Name:
1,2,4-Triazine-6-carboxylicacid, 4-amino-2,3,4,5-tetrahydro-5-oxo-3-thioxo-
CAS Number:
84424-75-9
Molecular Formula:
C4H4N4O3S
Molecular Weight:
188.1646
IUPAC Name:
4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid
InChI:
InChI=1S/C4H4N4O3S/c5-8-2(9)1(3(10)11)6-7-4(8)12/h5H2,(H,7,12)(H,10,11)
InChI Key:
CYFRVORDYMTZQG-UHFFFAOYSA-N
SMILES:
Nn1c(=O)c(n[nH]c1=S)C(=O)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.161g/mol
Monoisotopic Mass:
188g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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