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273731-75-2 | 3-ethyl-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No: 273731-75-2 Catalog No: AG00IX82 MDL No:MFCD00170599
Product Description
Catalog Number:
AG00IX82
Chemical Name:
3-ethyl-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
273731-75-2
Molecular Formula:
C13H13NO3S2
Molecular Weight:
295.3772
MDL Number:
MFCD00170599
IUPAC Name:
3-ethyl-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H13NO3S2/c1-3-14-12(16)10(19-13(14)18)7-8-5-4-6-9(17-2)11(8)15/h4-7,15H,3H2,1-2H3
InChI Key:
BUQWCOUBSVBPCP-UHFFFAOYSA-N
SMILES:
CCN1C(=S)SC(=Cc2cccc(c2O)OC)C1=O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.371g/mol
Monoisotopic Mass:
295.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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