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161364-49-4 | Ethanone, 1-[2-[(2-methoxyphenoxy)methyl]-1-oxido-3-thiazolidinyl]-2-(methylsulfinyl)-
CAS No: 161364-49-4 Catalog No: AG001SEQ MDL No:
Product Description
Catalog Number:
AG001SEQ
Chemical Name:
Ethanone, 1-[2-[(2-methoxyphenoxy)methyl]-1-oxido-3-thiazolidinyl]-2-(methylsulfinyl)-
CAS Number:
161364-49-4
Molecular Formula:
C14H19NO5S2
Molecular Weight:
345.4344
IUPAC Name:
1-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone
InChI:
InChI=1S/C14H19NO5S2/c1-19-11-5-3-4-6-12(11)20-9-14-15(7-8-22(14)18)13(16)10-21(2)17/h3-6,14H,7-10H2,1-2H3
InChI Key:
IYIWYGYJTBWFFC-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCC1S(=O)CCN1C(=O)CS(=O)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.428g/mol
Monoisotopic Mass:
345.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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