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669747-27-7

669747-27-7 | (E);-5-(2-Isobutoxybenzylidene);-2-mercaptothiazol-4(5H);-one

CAS No: 669747-27-7 Catalog No: AG0064MR MDL No:MFCD04968966

Product Description

Catalog Number:
AG0064MR
Chemical Name:
(E);-5-(2-Isobutoxybenzylidene);-2-mercaptothiazol-4(5H);-one
CAS Number:
669747-27-7
Molecular Formula:
C14H15NO2S2
Molecular Weight:
293.4044
MDL Number:
MFCD04968966
IUPAC Name:
(5E)-5-[[2-(2-methylpropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H15NO2S2/c1-9(2)8-17-11-6-4-3-5-10(11)7-12-13(16)15-14(18)19-12/h3-7,9H,8H2,1-2H3,(H,15,16,18)/b12-7+
InChI Key:
ARDDFMTZKQMGBZ-KPKJPENVSA-N
SMILES:
CC(COc1ccccc1/C=C\1/SC(=NC1=O)S)C

Properties

Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
293.054g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.399g/mol
Monoisotopic Mass:
293.054g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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