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Home > Imidazoles > 61388-77-0
61388-77-0 | 1-(3-methylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 61388-77-0 Catalog No: AG019O48 MDL No:MFCD04967161
Product Description
Catalog Number:
AG019O48
Chemical Name:
1-(3-methylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
61388-77-0
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
MDL Number:
MFCD04967161
IUPAC Name:
3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C10H10N2OS/c1-7-3-2-4-8(5-7)12-9(13)6-11-10(12)14/h2-5H,6H2,1H3,(H,11,14)
InChI Key:
PYZUDYAABFWCBS-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N1C(=NCC1=O)S
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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