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Home > Imidazoles > 37021-14-0
37021-14-0 | 3-ethyl-1-phenyl-2-thioxoimidazolidin-4-one
CAS No: 37021-14-0 Catalog No: AG00CJVO MDL No:MFCD00541210
Product Description
Catalog Number:
AG00CJVO
Chemical Name:
3-ethyl-1-phenyl-2-thioxoimidazolidin-4-one
CAS Number:
37021-14-0
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD00541210
IUPAC Name:
3-ethyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2OS/c1-2-12-10(14)8-13(11(12)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
UYPCZQJGNPASBR-UHFFFAOYSA-N
SMILES:
CCN1C(=O)CN(C1=S)c1ccccc1
EC Number:
253-310-5
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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