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99988-45-1 | (5E)-5-(3-ETHOXY-2-HYDROXYBENZYLIDENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
CAS No: 99988-45-1 Catalog No: AG003VTL MDL No:MFCD04969026
Product Description
Catalog Number:
AG003VTL
Chemical Name:
(5E)-5-(3-ETHOXY-2-HYDROXYBENZYLIDENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
CAS Number:
99988-45-1
Molecular Formula:
C12H11NO3S2
Molecular Weight:
281.3506
MDL Number:
MFCD04969026
IUPAC Name:
(5E)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO3S2/c1-2-16-8-5-3-4-7(10(8)14)6-9-11(15)13-12(17)18-9/h3-6,14H,2H2,1H3,(H,13,15,17)/b9-6+
InChI Key:
RUURNKWQIUZWFU-RMKNXTFCSA-N
SMILES:
CCOc1cccc(c1O)/C=C\1/SC(=NC1=O)S
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
281.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.344g/mol
Monoisotopic Mass:
281.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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