Home Aminos 2-Propenoic acid, 2-cyano-3-mercapto-3-(phenylamino)-, ethyl ester

2-Propenoic acid, 2-cyano-3-mercapto-3-(phenylamino)-, ethyl ester

CAS No.:
23593-51-3
Catalog Number:
AG002NU1
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$94
- +
5g
1 week
United States
$205
- +
25g
1 week
United States
$538
- +
Product Description
Catalog Number:
AG002NU1
Chemical Name:
2-Propenoic acid, 2-cyano-3-mercapto-3-(phenylamino)-, ethyl ester
CAS Number:
23593-51-3
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
MDL Number:
MFCD00831757
IUPAC Name:
ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate
InChI:
InChI=1S/C12H12N2O2S/c1-2-16-12(15)10(8-13)11(17)14-9-6-4-3-5-7-9/h3-7,14,17H,2H2,1H3
InChI Key:
AOZYOXJUXRMICF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(Nc1ccccc1)S)C#N
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  
Properties