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203661-13-6 | 3-Pyridinecarboxylic acid, 5-amino-1,6-dihydro-6-thioxo-, methyl ester
CAS No: 203661-13-6 Catalog No: AG002926 MDL No:MFCD24395101
Product Description
Catalog Number:
AG002926
Chemical Name:
3-Pyridinecarboxylic acid, 5-amino-1,6-dihydro-6-thioxo-, methyl ester
CAS Number:
203661-13-6
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
MDL Number:
MFCD24395101
IUPAC Name:
methyl 5-amino-6-sulfanylidene-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C7H8N2O2S/c1-11-7(10)4-2-5(8)6(12)9-3-4/h2-3H,8H2,1H3,(H,9,12)
InChI Key:
BCEKOKBOHOFINY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c(=S)c(c1)N
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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