Home Carboxys Methyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate

Methyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate

CAS No.:
85092-72-4
Catalog Number:
AG004OJS
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$212
- +
1g
97%
1 week
United States
$556
- +
Product Description
Catalog Number:
AG004OJS
Chemical Name:
Methyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate
CAS Number:
85092-72-4
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD12068370
IUPAC Name:
methyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate
InChI:
InChI=1S/C8H8N2O2S/c1-4-5(3-9)6(10)7(13-4)8(11)12-2/h10H2,1-2H3
InChI Key:
IVHYPGKMCSKNQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1N)C#N)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties