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Home > Imidazoles > 852217-66-4
852217-66-4 | 1-(3-ethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 852217-66-4 Catalog No: AG019O2U MDL No:MFCD06655377
Product Description
Catalog Number:
AG019O2U
Chemical Name:
1-(3-ethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
852217-66-4
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD06655377
IUPAC Name:
3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2OS/c1-2-8-4-3-5-9(6-8)13-10(14)7-12-11(13)15/h3-6H,2,7H2,1H3,(H,12,15)
InChI Key:
UAJVOZFZEHBBFA-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)N1C(=NCC1=O)S
Properties
Complexity:
280
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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