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Home > Thiazole > 2015213-69-9
2015213-69-9 | (5Z)-5-(2-hydroxy-5-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CAS No: 2015213-69-9 Catalog No: AG00J3SE MDL No:MFCD20503003
Product Description
Catalog Number:
AG00J3SE
Chemical Name:
(5Z)-5-(2-hydroxy-5-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
2015213-69-9
Molecular Formula:
C11H9NO3S2
Molecular Weight:
267.3241
MDL Number:
MFCD20503003
IUPAC Name:
(5Z)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9NO3S2/c1-15-7-2-3-8(13)6(4-7)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)/b9-5-
InChI Key:
YEJUJHJJZCVXBL-UITAMQMPSA-N
SMILES:
COc1cc(/C=C/2\SC(=S)NC2=O)c(cc1)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
267.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.317g/mol
Monoisotopic Mass:
267.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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