Home Thiazoles 100063-24-9
100063-24-9,MFCD04969033
Catalog No.:AA0000QI
4-Thiazolidinone, 5-[(4-ethoxyphenyl)methylene]-2-thioxo- | 100063-24-9
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1g
95%
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$88.00
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5g
95%
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$238.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000QI
Chemical Name:
4-Thiazolidinone, 5-[(4-ethoxyphenyl)methylene]-2-thioxo-
CAS Number:
100063-24-9
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
MDL Number:
MFCD04969033
IUPAC Name:
(5E)-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO2S2/c1-2-15-9-5-3-8(4-6-9)7-10-11(14)13-12(16)17-10/h3-7H,2H2,1H3,(H,13,14,16)/b10-7+
InChI Key:
POAHNNUHMFNSCH-JXMROGBWSA-N
SMILES:
CCOc1ccc(cc1)C=C1SC(=S)NC1=O
Properties
Computed Properties
 
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
265.023g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.345g/mol
Monoisotopic Mass:
265.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
100063-24-9 
(5E)-5-(4-ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one 
MFCD04969033 
AKOS000307473 
AKOS000507417 
AJ-44341 
BAS 00481282 
ST50231492 
Y-1480 
SR-01000367423 
SR-01000367423-1 
I01-13284 
5-(4-Ethoxy-benzylidene)-2-thioxo-thiazolidin-4-one 
5-[(4-ethoxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one 
(5E)-5-[(4-ethoxyphenyl)methylidene]-2-sulfanyl-1,3-thiazol-4-one 
(5E)-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one 
C12H11NO2S2 
ZINC03011850 
CID5756954 
AC1NXOEV 
(E)-5-(4-Ethoxybenzylidene)-2-mercaptothiazol-4(5H)-one 
ALBB-009152 
ZINC3011849 
ZX-AN008047 
ZX-CM001447 
7076AC 
Literature
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