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159222-24-9 | Acetic acid, 2-[(1-methyl-1H-benzimidazol-2-yl)thio]-
CAS No: 159222-24-9 Catalog No: AG001QJQ MDL No:MFCD03274728
Product Description
Catalog Number:
AG001QJQ
Chemical Name:
Acetic acid, 2-[(1-methyl-1H-benzimidazol-2-yl)thio]-
CAS Number:
159222-24-9
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD03274728
IUPAC Name:
2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid
InChI:
InChI=1S/C10H10N2O2S/c1-12-8-5-3-2-4-7(8)11-10(12)15-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChI Key:
MCMIGLPXWPOCTD-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nc2c(n1C)cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/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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