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153567-96-5 | (E);-5-(2,5-Dimethylbenzylidene);-2-mercaptothiazol-4(5H);-one
CAS No: 153567-96-5 Catalog No: AG007I86 MDL No:MFCD04969076
Product Description
Catalog Number:
AG007I86
Chemical Name:
(E);-5-(2,5-Dimethylbenzylidene);-2-mercaptothiazol-4(5H);-one
CAS Number:
153567-96-5
Molecular Formula:
C12H11NOS2
Molecular Weight:
249.3518
MDL Number:
MFCD04969076
IUPAC Name:
(5E)-5-[(2,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NOS2/c1-7-3-4-8(2)9(5-7)6-10-11(14)13-12(15)16-10/h3-6H,1-2H3,(H,13,14,15)/b10-6+
InChI Key:
MAJYXNRQWPLXHB-UXBLZVDNSA-N
SMILES:
Cc1ccc(cc1/C=C\1/SC(=NC1=O)S)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
249.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.346g/mol
Monoisotopic Mass:
249.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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