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Home > Imidazoles > 30615-87-3
30615-87-3 | 4-Imidazolidinone, 3-methyl-5-(phenylmethyl)-2-thioxo-
CAS No: 30615-87-3 Catalog No: AG0030NX MDL No:
Product Description
Catalog Number:
AG0030NX
Chemical Name:
4-Imidazolidinone, 3-methyl-5-(phenylmethyl)-2-thioxo-
CAS Number:
30615-87-3
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
IUPAC Name:
5-benzyl-3-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2OS/c1-13-10(14)9(12-11(13)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,15)
InChI Key:
YJCYEQCFHGHYRN-UHFFFAOYSA-N
SMILES:
CN1C(=S)NC(C1=O)Cc1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
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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