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Home > Imidazoles > 2349-58-8
2349-58-8 | 2H-Imidazole-2-thione, 1,3-dihydro-4,5-diphenyl-
CAS No: 2349-58-8 Catalog No: AG002NE8 MDL No:MFCD00443115
Product Description
Catalog Number:
AG002NE8
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-4,5-diphenyl-
CAS Number:
2349-58-8
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
MDL Number:
MFCD00443115
IUPAC Name:
4,5-diphenyl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)
InChI Key:
GMTAWLUJHGIUPU-UHFFFAOYSA-N
SMILES:
S=c1[nH]c(c([nH]1)c1ccccc1)c1ccccc1
EC Number:
219-077-9
Properties
Complexity:
318
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:
2
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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