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91168-31-9 | 5-METHOXY-2-(METHYLTHIO)BENZIMIDAZOLE
CAS No: 91168-31-9 Catalog No: AG00GT16 MDL No:
Product Description
Catalog Number:
AG00GT16
Chemical Name:
5-METHOXY-2-(METHYLTHIO)BENZIMIDAZOLE
CAS Number:
91168-31-9
IUPAC Name:
6-methoxy-2-methylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C9H10N2OS/c1-12-6-3-4-7-8(5-6)11-9(10-7)13-2/h3-5H,1-2H3,(H,10,11)
InChI Key:
PWMHKUVMHMOAIF-UHFFFAOYSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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