Home Carboxys Ethyl 5-cyano-1-benzothiophene-2-carboxylate

Ethyl 5-cyano-1-benzothiophene-2-carboxylate

CAS No.:
105191-14-8
Catalog Number:
AG00HALE
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$350
- +
5g
96%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00HALE
Chemical Name:
Ethyl 5-cyano-1-benzothiophene-2-carboxylate
CAS Number:
105191-14-8
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
MDL Number:
MFCD13180921
IUPAC Name:
ethyl 5-cyano-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C12H9NO2S/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-6H,2H2,1H3
InChI Key:
KURMBVGYOCYEDO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(s1)ccc(c2)C#N
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.269g/mol
Monoisotopic Mass:
231.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties