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Home > Imidazoles > 17452-14-1
17452-14-1 | 2H-Imidazole-2-thione, 1,3-dihydro-1-(4-methoxyphenyl)-
CAS No: 17452-14-1 Catalog No: AG001ZQV MDL No:MFCD00041376
Product Description
Catalog Number:
AG001ZQV
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-(4-methoxyphenyl)-
CAS Number:
17452-14-1
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
MDL Number:
MFCD00041376
IUPAC Name:
3-(4-methoxyphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C10H10N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-7H,1H3,(H,11,14)
InChI Key:
LIEBCNQPMNARMP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cc[nH]c1=S
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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