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149726-22-7 | 3,4-Pyridinedicarboxylic acid, 6-amino-2-(methylthio)-, 3,4-dimethyl ester
CAS No: 149726-22-7 Catalog No: AG001LZ6 MDL No:
Product Description
Catalog Number:
AG001LZ6
Chemical Name:
3,4-Pyridinedicarboxylic acid, 6-amino-2-(methylthio)-, 3,4-dimethyl ester
CAS Number:
149726-22-7
Molecular Formula:
C10H12N2O4S
Molecular Weight:
256.2783
IUPAC Name:
dimethyl 6-amino-2-methylsulfanylpyridine-3,4-dicarboxylate
InChI:
InChI=1S/C10H12N2O4S/c1-15-9(13)5-4-6(11)12-8(17-3)7(5)10(14)16-2/h4H,1-3H3,(H2,11,12)
InChI Key:
TVGTVBCTISANCD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(SC)nc(cc1C(=O)OC)N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.276g/mol
Monoisotopic Mass:
256.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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