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

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

CAS No.:
127378-17-0
Catalog Number:
AG000X0O
Molecular Formula:
C12H11NO3S2
Molecular Weight:
281.3506
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:
AG000X0O
Chemical Name:
(5E)-5-(2,5-Dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one
CAS Number:
127378-17-0
Molecular Formula:
C12H11NO3S2
Molecular Weight:
281.3506
MDL Number:
MFCD04969036
IUPAC Name:
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO3S2/c1-15-8-3-4-9(16-2)7(5-8)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6+
InChI Key:
WEDXIWUKUHJGIR-UXBLZVDNSA-N
SMILES:
COc1ccc(cc1C=C1SC(=S)NC1=O)OC
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
281.018g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.344g/mol
Monoisotopic Mass:
281.018g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties