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Home > Imidazoles > 67624-27-5
67624-27-5 | 1-BUTYL-1H-BENZOIMIDAZOLE-2-THIOL
CAS No: 67624-27-5 Catalog No: AG005LKQ MDL No:MFCD00550322
Product Description
Catalog Number:
AG005LKQ
Chemical Name:
1-BUTYL-1H-BENZOIMIDAZOLE-2-THIOL
CAS Number:
67624-27-5
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD00550322
IUPAC Name:
3-butyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C11H14N2S/c1-2-3-8-13-10-7-5-4-6-9(10)12-11(13)14/h4-7H,2-3,8H2,1H3,(H,12,14)
InChI Key:
OVTQTPRJINYNIY-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nc2c1cccc2
Properties
Complexity:
217
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:
3
Topological Polar Surface Area:
47.4A^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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