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Home > Imidazoles > 577-47-9
577-47-9 | 1-BENZOYL-2-THIOXO-4-IMIDAZOLIDINONE
CAS No: 577-47-9 Catalog No: AG00EOOM MDL No:MFCD00451759
Product Description
Catalog Number:
AG00EOOM
Chemical Name:
1-BENZOYL-2-THIOXO-4-IMIDAZOLIDINONE
CAS Number:
577-47-9
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD00451759
IUPAC Name:
1-benzoyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15)
InChI Key:
YTMVOQHVLQJLML-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=O)NC1=S)c1ccccc1
UNII:
29QS4U5L4L
NSC Number:
8067
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
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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