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Home > Imidazoles > 29583-09-3
29583-09-3 | 4-Imidazolidinone, 5-[2-(methylthio)ethyl]-3-phenyl-2-thioxo-, (5S)-
CAS No: 29583-09-3 Catalog No: AG002YU4 MDL No:
Product Description
Catalog Number:
AG002YU4
Chemical Name:
4-Imidazolidinone, 5-[2-(methylthio)ethyl]-3-phenyl-2-thioxo-, (5S)-
CAS Number:
29583-09-3
Molecular Formula:
C12H14N2OS2
Molecular Weight:
266.3824
IUPAC Name:
(5S)-5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C12H14N2OS2/c1-17-8-7-10-11(15)14(12(16)13-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)/t10-/m0/s1
InChI Key:
KALSXWPXUWRLOH-JTQLQIEISA-N
SMILES:
CSCC[C@@H]1NC(=S)N(C1=O)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.377g/mol
Monoisotopic Mass:
266.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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