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Home > Imidazoles > 313067-44-6
313067-44-6 | 2H-Benzimidazole-2-thione, 1-cyclohexyl-1,3-dihydro-
CAS No: 313067-44-6 Catalog No: AG00I5WE MDL No:MFCD01128207
Product Description
Catalog Number:
AG00I5WE
Chemical Name:
2H-Benzimidazole-2-thione, 1-cyclohexyl-1,3-dihydro-
CAS Number:
313067-44-6
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
MDL Number:
MFCD01128207
IUPAC Name:
3-cyclohexyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C13H16N2S/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,16)
InChI Key:
DTPHNYFVOAAXFP-UHFFFAOYSA-N
SMILES:
Sc1nc2c(n1C1CCCCC1)cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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