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Home > Imidazoles > 790271-20-4
790271-20-4 | 2-Mercapto-1-methyl-1h-benzimidazole-5-sulfonamide
CAS No: 790271-20-4 Catalog No: AG00ICZW MDL No:MFCD06357888
Product Description
Catalog Number:
AG00ICZW
Chemical Name:
2-Mercapto-1-methyl-1h-benzimidazole-5-sulfonamide
CAS Number:
790271-20-4
Molecular Formula:
C8H9N3O2S2
Molecular Weight:
243.3060
MDL Number:
MFCD06357888
IUPAC Name:
1-methyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C8H9N3O2S2/c1-11-7-3-2-5(15(9,12)13)4-6(7)10-8(11)14/h2-4H,1H3,(H,10,14)(H2,9,12,13)
InChI Key:
DERBQFJCXQRUTC-UHFFFAOYSA-N
SMILES:
Cn1c(S)nc2c1ccc(c2)S(=O)(=O)N
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.299g/mol
Monoisotopic Mass:
243.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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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