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Home > Imidazoles > 63503-80-0
63503-80-0 | 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetohydrazide
CAS No: 63503-80-0 Catalog No: AG00JGXV MDL No:MFCD02334762
Product Description
Catalog Number:
AG00JGXV
Chemical Name:
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetohydrazide
CAS Number:
63503-80-0
Molecular Formula:
C11H14N4OS
Molecular Weight:
250.3201
MDL Number:
MFCD02334762
IUPAC Name:
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetohydrazide
InChI:
InChI=1S/C11H14N4OS/c1-6-3-8-9(4-7(6)2)14-11(13-8)17-5-10(16)15-12/h3-4H,5,12H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
AYCXDQHIVYLKFI-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1[nH]c2c(n1)cc(c(c2)C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.32g/mol
Monoisotopic Mass:
250.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^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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