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16486-25-2 | Benzamide, N-[(methylamino)thioxomethyl]-
CAS No: 16486-25-2 Catalog No: AG001V48 MDL No:
Product Description
Catalog Number:
AG001V48
Chemical Name:
Benzamide, N-[(methylamino)thioxomethyl]-
CAS Number:
16486-25-2
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
IUPAC Name:
N-(methylcarbamothioyl)benzamide
InChI:
InChI=1S/C9H10N2OS/c1-10-9(13)11-8(12)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12,13)
InChI Key:
XQGRIBYZZQKGPC-UHFFFAOYSA-N
SMILES:
CNC(=S)NC(=O)c1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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