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Home > Imidazoles > 257869-91-3
257869-91-3 | 4-Imidazolidinethione,1-hydroxy-5,5-dimethyl-2-phenyl-
CAS No: 257869-91-3 Catalog No: AG007LZT MDL No:MFCD00800650
Product Description
Catalog Number:
AG007LZT
Chemical Name:
4-Imidazolidinethione,1-hydroxy-5,5-dimethyl-2-phenyl-
CAS Number:
257869-91-3
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD00800650
IUPAC Name:
1-hydroxy-5,5-dimethyl-2-phenylimidazolidine-4-thione
InChI:
InChI=1S/C11H14N2OS/c1-11(2)10(15)12-9(13(11)14)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3,(H,12,15)
InChI Key:
WQSXWDOQZZBNFX-UHFFFAOYSA-N
SMILES:
ON1C(NC(=S)C1(C)C)c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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