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Home > Imidazoles > 136802-77-2
136802-77-2 | 1,5-Diphenyl-1,3-dihydro-2H-imidazole-2-thione
CAS No: 136802-77-2 Catalog No: AG00HUPC MDL No:MFCD01429052
Product Description
Catalog Number:
AG00HUPC
Chemical Name:
1,5-Diphenyl-1,3-dihydro-2H-imidazole-2-thione
CAS Number:
136802-77-2
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
MDL Number:
MFCD01429052
IUPAC Name:
3,4-diphenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C15H12N2S/c18-15-16-11-14(12-7-3-1-4-8-12)17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)
InChI Key:
WVWPIDMVMOHYEG-UHFFFAOYSA-N
SMILES:
Sc1ncc(n1c1ccccc1)c1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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