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Home > Imidazoles > 832737-26-5
832737-26-5 | 2-sulfanyl-1-(tetrahydrofuran-2-ylmethyl)-4H-imidazol-5-one
CAS No: 832737-26-5 Catalog No: AG019DKS MDL No:MFCD04967163
Product Description
Catalog Number:
AG019DKS
Chemical Name:
2-sulfanyl-1-(tetrahydrofuran-2-ylmethyl)-4H-imidazol-5-one
CAS Number:
832737-26-5
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
MDL Number:
MFCD04967163
IUPAC Name:
3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C8H12N2O2S/c11-7-4-9-8(13)10(7)5-6-2-1-3-12-6/h6H,1-5H2,(H,9,13)
InChI Key:
XSNMYHHIRQHEQT-UHFFFAOYSA-N
SMILES:
O=C1CN=C(N1CC1CCCO1)S
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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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