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43215-10-7 | 1H-Benzimidazole,1-(methylsulfonyl)-(9CI)
CAS No: 43215-10-7 Catalog No: AG00DWJE MDL No:
Product Description
Catalog Number:
AG00DWJE
Chemical Name:
1H-Benzimidazole,1-(methylsulfonyl)-(9CI)
CAS Number:
43215-10-7
IUPAC Name:
1-methylsulfonylbenzimidazole
InChI:
InChI=1S/C8H8N2O2S/c1-13(11,12)10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
InChI Key:
XWGLWTLUQQRMOS-UHFFFAOYSA-N
NSC Number:
96018
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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