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79927-21-2 | 1,2-Dihydro-4,6-diMethyl-2-thioxo-3-pyridinecarboxaMide
CAS No: 79927-21-2 Catalog No: AG00G51K MDL No:MFCD06366752
Product Description
Catalog Number:
AG00G51K
Chemical Name:
1,2-Dihydro-4,6-diMethyl-2-thioxo-3-pyridinecarboxaMide
CAS Number:
79927-21-2
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
MDL Number:
MFCD06366752
IUPAC Name:
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C8H10N2OS/c1-4-3-5(2)10-8(12)6(4)7(9)11/h3H,1-2H3,(H2,9,11)(H,10,12)
InChI Key:
PNUHWHVTEYTPSN-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(n1)S)C(=O)N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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