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Home > Imidazoles > 87216-53-3
87216-53-3 | 2H-Benzimidazole-2-thione,1,3-dihydro-1-(2-propen-1-yl)-
CAS No: 87216-53-3 Catalog No: AG004JE9 MDL No:MFCD06655204
Product Description
Catalog Number:
AG004JE9
Chemical Name:
2H-Benzimidazole-2-thione,1,3-dihydro-1-(2-propen-1-yl)-
CAS Number:
87216-53-3
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
MDL Number:
MFCD06655204
IUPAC Name:
3-prop-2-enyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C10H10N2S/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h2-6H,1,7H2,(H,11,13)
InChI Key:
JTRIXERILCLYFM-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nc2c1cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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