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Home > Imidazoles > 81750-69-8
81750-69-8 | 3-cyclohexyl-2-thioxo-imidazolidin-4-one
CAS No: 81750-69-8 Catalog No: AG019CNA MDL No:MFCD02855318
Product Description
Catalog Number:
AG019CNA
Chemical Name:
3-cyclohexyl-2-thioxo-imidazolidin-4-one
CAS Number:
81750-69-8
Molecular Formula:
C9H14N2OS
Molecular Weight:
198.2853
MDL Number:
MFCD02855318
IUPAC Name:
3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C9H14N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,13)
InChI Key:
YZUZCWDBQPAEMK-UHFFFAOYSA-N
SMILES:
O=C1CN=C(N1C1CCCCC1)S
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.284g/mol
Monoisotopic Mass:
198.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^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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