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Home > Imidazoles > 55489-14-0
55489-14-0 | 1-ISOBUTYL-1H-BENZIMIDAZOLE-2-THIOL
CAS No: 55489-14-0 Catalog No: AG00DFLT MDL No:MFCD02074359
Product Description
Catalog Number:
AG00DFLT
Chemical Name:
1-ISOBUTYL-1H-BENZIMIDAZOLE-2-THIOL
CAS Number:
55489-14-0
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD02074359
IUPAC Name:
3-(2-methylpropyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C11H14N2S/c1-8(2)7-13-10-6-4-3-5-9(10)12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14)
InChI Key:
PDEPCYZELSULEW-UHFFFAOYSA-N
SMILES:
CC(Cn1c(S)nc2c1cccc2)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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