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Home > Imidazoles > 67845-09-4
67845-09-4 | 1-Acetyl-3-(1,3-dioxobutyl)-2-imidazolidinethione
CAS No: 67845-09-4 Catalog No: AG00FI8Q MDL No:
Product Description
Catalog Number:
AG00FI8Q
Chemical Name:
1-Acetyl-3-(1,3-dioxobutyl)-2-imidazolidinethione
CAS Number:
67845-09-4
IUPAC Name:
1-(3-acetyl-2-sulfanylideneimidazolidin-1-yl)butane-1,3-dione
InChI:
InChI=1S/C9H12N2O3S/c1-6(12)5-8(14)11-4-3-10(7(2)13)9(11)15/h3-5H2,1-2H3
InChI Key:
YLVWDBDLUNKALZ-UHFFFAOYSA-N
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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