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29511-50-0 | Benzamide, N-[(dimethylamino)thioxomethyl]-
CAS No: 29511-50-0 Catalog No: AG002YLK MDL No:
Product Description
Catalog Number:
AG002YLK
Chemical Name:
Benzamide, N-[(dimethylamino)thioxomethyl]-
CAS Number:
29511-50-0
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
IUPAC Name:
N-(dimethylcarbamothioyl)benzamide
InChI:
InChI=1S/C10H12N2OS/c1-12(2)10(14)11-9(13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,13,14)
InChI Key:
UJNPFRWNURYKFC-UHFFFAOYSA-N
SMILES:
CN(C(=S)NC(=O)c1ccccc1)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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