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Home > Imidazoles > 4493-32-7
4493-32-7 | 1,3-dihydro-1-phenyl-2h-benzimidazole-2-thion
CAS No: 4493-32-7 Catalog No: AG00DBIY MDL No:MFCD02063044
Product Description
Catalog Number:
AG00DBIY
Chemical Name:
1,3-dihydro-1-phenyl-2h-benzimidazole-2-thion
CAS Number:
4493-32-7
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
MDL Number:
MFCD02063044
IUPAC Name:
3-phenyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C13H10N2S/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,14,16)
InChI Key:
JKIGHOGKGARVAG-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:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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