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Home > Imidazoles > 852399-66-7
852399-66-7 | 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione
CAS No: 852399-66-7 Catalog No: AG018RD9 MDL No:MFCD06655543
Product Description
Catalog Number:
AG018RD9
Chemical Name:
1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione
CAS Number:
852399-66-7
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
MDL Number:
MFCD06655543
IUPAC Name:
3-(2-methylpropyl)-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C13H16N2S/c1-10(2)9-15-12(8-14-13(15)16)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,14,16)
InChI Key:
PXWQPEXSBNCAOO-UHFFFAOYSA-N
SMILES:
CC(Cn1c(c[nH]c1=S)c1ccccc1)C
Properties
Complexity:
290
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:
3
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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