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Home > Imidazoles > 472996-14-8
472996-14-8 | 4-benzyl-5-methyl-1H-imidazole-2-thiol
CAS No: 472996-14-8 Catalog No: AG019JI0 MDL No:MFCD06357852
Product Description
Catalog Number:
AG019JI0
Chemical Name:
4-benzyl-5-methyl-1H-imidazole-2-thiol
CAS Number:
472996-14-8
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD06357852
IUPAC Name:
4-benzyl-5-methyl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C11H12N2S/c1-8-10(13-11(14)12-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,14)
InChI Key:
PUBLWZQCQIJQJH-UHFFFAOYSA-N
SMILES:
Sc1nc(c([nH]1)C)Cc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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