Home Other Building Blocks (5E)-5-(4-Ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one

(5E)-5-(4-Ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one

CAS No.:
100063-24-9
Catalog Number:
AG0000TA
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG0000TA
Chemical Name:
(5E)-5-(4-Ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one
CAS Number:
100063-24-9
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
MDL Number:
MFCD04969033
IUPAC Name:
(5E)-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO2S2/c1-2-15-9-5-3-8(4-6-9)7-10-11(14)13-12(16)17-10/h3-7H,2H2,1H3,(H,13,14,16)/b10-7+
InChI Key:
POAHNNUHMFNSCH-JXMROGBWSA-N
SMILES:
CCOc1ccc(cc1)C=C1SC(=S)NC1=O
Properties
Complexity:
346  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
265.345g/mol
Monoisotopic Mass:
265.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties