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99988-74-6 | (5E)-5-(4-HYDROXY-3,5-DIMETHOXYBENZYLIDENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
CAS No: 99988-74-6 Catalog No: AG003VI3 MDL No:MFCD04969038
Product Description
Catalog Number:
AG003VI3
Chemical Name:
(5E)-5-(4-HYDROXY-3,5-DIMETHOXYBENZYLIDENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
CAS Number:
99988-74-6
Molecular Formula:
C12H11NO4S2
Molecular Weight:
297.3500
MDL Number:
MFCD04969038
IUPAC Name:
(5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO4S2/c1-16-7-3-6(4-8(17-2)10(7)14)5-9-11(15)13-12(18)19-9/h3-5,14H,1-2H3,(H,13,15,18)/b9-5+
InChI Key:
PCIQZJDFKLRXIO-WEVVVXLNSA-N
SMILES:
COc1cc(/C=C\2/SC(=NC2=O)S)cc(c1O)OC
NSC Number:
122480
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
297.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.343g/mol
Monoisotopic Mass:
297.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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