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Home > Imidazoles > 692278-80-1
692278-80-1 | 3-allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
CAS No: 692278-80-1 Catalog No: AG00JF1M MDL No:MFCD03722141
Product Description
Catalog Number:
AG00JF1M
Chemical Name:
3-allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
CAS Number:
692278-80-1
Molecular Formula:
C14H16N2O2S
Molecular Weight:
276.3540
MDL Number:
MFCD03722141
IUPAC Name:
1-(4-ethoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C14H16N2O2S/c1-3-9-15-13(17)10-16(14(15)19)11-5-7-12(8-6-11)18-4-2/h3,5-8H,1,4,9-10H2,2H3
InChI Key:
RGNQXPFFAOKONV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)N1CC(=O)N(C1=S)CC=C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.354g/mol
Monoisotopic Mass:
276.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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