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113546-63-7 | Acetic acid, 2-(2-benzoxazolylthio)-, hydrazide
CAS No: 113546-63-7 Catalog No: AG0008YI MDL No:MFCD00474722
Product Description
Catalog Number:
AG0008YI
Chemical Name:
Acetic acid, 2-(2-benzoxazolylthio)-, hydrazide
CAS Number:
113546-63-7
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
MDL Number:
MFCD00474722
IUPAC Name:
2-(1,3-benzoxazol-2-ylsulfanyl)acetohydrazide
InChI:
InChI=1S/C9H9N3O2S/c10-12-8(13)5-15-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5,10H2,(H,12,13)
InChI Key:
LJEBGZZNJLKPEG-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1nc2c(o1)cccc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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