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75150-40-2 | 2-((4-Chlorophenyl)thio)acetohydrazide
CAS No: 75150-40-2 Catalog No: AG00565C MDL No:MFCD01176459
Product Description
Catalog Number:
AG00565C
Chemical Name:
2-((4-Chlorophenyl)thio)acetohydrazide
CAS Number:
75150-40-2
Molecular Formula:
C8H9ClN2OS
Molecular Weight:
216.6879
MDL Number:
MFCD01176459
IUPAC Name:
2-(4-chlorophenyl)sulfanylacetohydrazide
InChI:
InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChI Key:
SXJWSRUPDZKESM-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1ccc(cc1)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.683g/mol
Monoisotopic Mass:
216.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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