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81154-13-4 | (E);-5-(4-Hydroxybenzylidene);-2-mercaptothiazol-4(5H);-one
CAS No: 81154-13-4 Catalog No: AG004ZQD MDL No:MFCD04969022
Product Description
Catalog Number:
AG004ZQD
Chemical Name:
(E);-5-(4-Hydroxybenzylidene);-2-mercaptothiazol-4(5H);-one
CAS Number:
81154-13-4
Molecular Formula:
C10H7NO2S2
Molecular Weight:
237.2981
MDL Number:
MFCD04969022
IUPAC Name:
(5E)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H7NO2S2/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5+
InChI Key:
RAYIDZVPIAJJPF-VMPITWQZSA-N
SMILES:
O=C1N=C(S/C/1=C/c1ccc(cc1)O)S
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
236.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.291g/mol
Monoisotopic Mass:
236.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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