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Home > Imidazoles > 61815-25-6
61815-25-6 | 1-acetyl-5-phenyl-2-thioxoimidazolidin-4-one
CAS No: 61815-25-6 Catalog No: AG01CARQ MDL No:MFCD00094367
Product Description
Catalog Number:
AG01CARQ
Chemical Name:
1-acetyl-5-phenyl-2-thioxoimidazolidin-4-one
CAS Number:
61815-25-6
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
MDL Number:
MFCD00094367
IUPAC Name:
1-acetyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H10N2O2S/c1-7(14)13-9(10(15)12-11(13)16)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,15,16)
InChI Key:
QJEOCYPBQFUYTA-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(=S)NC(=O)C1c1ccccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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