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69505-47-1 | (E);-5-(3-Hydroxy-4-methoxybenzylidene);-2-mercaptothiazol-4(5H);-one
CAS No: 69505-47-1 Catalog No: AG006C47 MDL No:MFCD00597806
Product Description
Catalog Number:
AG006C47
Chemical Name:
(E);-5-(3-Hydroxy-4-methoxybenzylidene);-2-mercaptothiazol-4(5H);-one
CAS Number:
69505-47-1
Molecular Formula:
C11H9NO3S2
Molecular Weight:
267.3241
MDL Number:
MFCD00597806
IUPAC Name:
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9NO3S2/c1-15-8-3-2-6(4-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)/b9-5+
InChI Key:
PCTZLDOIVAVMME-WEVVVXLNSA-N
SMILES:
COc1ccc(cc1O)/C=C\1/SC(=NC1=O)S
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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