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Home > Imidazoles > 828299-73-6
828299-73-6 | 3-allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
CAS No: 828299-73-6 Catalog No: AG00JF1O MDL No:MFCD04133227
Product Description
Catalog Number:
AG00JF1O
Chemical Name:
3-allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
CAS Number:
828299-73-6
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
MDL Number:
MFCD04133227
IUPAC Name:
1-(4-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H14N2O2S/c1-3-8-14-12(16)9-15(13(14)18)10-4-6-11(17-2)7-5-10/h3-7H,1,8-9H2,2H3
InChI Key:
HFEWYWYNNWDLGS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CC(=O)N(C1=S)CC=C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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