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14776-65-9 | Acetic acid, 2-[(4-methylphenyl)thio]-, hydrazide
CAS No: 14776-65-9 Catalog No: AG001F6Y MDL No:MFCD01176458
Product Description
Catalog Number:
AG001F6Y
Chemical Name:
Acetic acid, 2-[(4-methylphenyl)thio]-, hydrazide
CAS Number:
14776-65-9
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD01176458
IUPAC Name:
2-(4-methylphenyl)sulfanylacetohydrazide
InChI:
InChI=1S/C9H12N2OS/c1-7-2-4-8(5-3-7)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChI Key:
ARDMGTOWLCOGKG-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1ccc(cc1)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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