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127378-22-7

127378-22-7 | (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CAS No: 127378-22-7 Catalog No: AG01EMIW MDL No:MFCD28168569

Product Description

Catalog Number:
AG01EMIW
Chemical Name:
(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
127378-22-7
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
MDL Number:
MFCD28168569
IUPAC Name:
(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO2S2/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-5,14H,1-2H3,(H,13,15,16)/b9-5+
InChI Key:
NPYSSQZXRXNSQT-WEVVVXLNSA-N
SMILES:
O=C1NC(=S)S/C/1=C/c1cc(C)c(c(c1)C)O

Properties

Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
265.023g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.345g/mol
Monoisotopic Mass:
265.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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