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Home Other Building Blocks 1-benzyl-4-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

1-benzyl-4-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

CAS No.:
36017-41-1
Catalog Number:
AG019OBS
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
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Product Description
Catalog Number:
AG019OBS
Chemical Name:
1-benzyl-4-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
36017-41-1
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD06655870
IUPAC Name:
3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2OS/c1-8-10(14)13(11(15)12-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)
InChI Key:
CGSCAUMDHKDVJR-UHFFFAOYSA-N
SMILES:
O=C1C(C)N=C(N1Cc1ccccc1)S
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:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties