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99972-65-3 | (5E)-5-(2-HYDROXY-3-METHOXYBENZYLIDENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
CAS No: 99972-65-3 Catalog No: AG003VO8 MDL No:MFCD04969025
Product Description
Catalog Number:
AG003VO8
Chemical Name:
(5E)-5-(2-HYDROXY-3-METHOXYBENZYLIDENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
CAS Number:
99972-65-3
Molecular Formula:
C11H9NO3S2
Molecular Weight:
267.3241
MDL Number:
MFCD04969025
IUPAC Name:
(5E)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9NO3S2/c1-15-7-4-2-3-6(9(7)13)5-8-10(14)12-11(16)17-8/h2-5,13H,1H3,(H,12,14,16)/b8-5+
InChI Key:
QRTIHKBCRWQQGK-VMPITWQZSA-N
SMILES:
COc1cccc(c1O)/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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