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790270-94-9 | Propanoic acid, 3-[(4-methylphenyl)thio]-, hydrazide (9CI)
CAS No: 790270-94-9 Catalog No: AG0054H4 MDL No:MFCD06357858
Product Description
Catalog Number:
AG0054H4
Chemical Name:
Propanoic acid, 3-[(4-methylphenyl)thio]-, hydrazide (9CI)
CAS Number:
790270-94-9
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
MDL Number:
MFCD06357858
IUPAC Name:
3-(4-methylphenyl)sulfanylpropanehydrazide
InChI:
InChI=1S/C10H14N2OS/c1-8-2-4-9(5-3-8)14-7-6-10(13)12-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChI Key:
BFSJHFNWCPVHBJ-UHFFFAOYSA-N
SMILES:
NNC(=O)CCSc1ccc(cc1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.4A^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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