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

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

CAS No.:
61320-65-8
Catalog Number:
AG00EA57
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$112
- +
1g
95%
In Stock USA
United States
$207
- +
5g
95%
In Stock USA
United States
$679
- +
10g
95%
In Stock USA
United States
$1151
- +
Product Description
Catalog Number:
AG00EA57
Chemical Name:
Methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate
CAS Number:
61320-65-8
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD00126940
IUPAC Name:
methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate
InChI:
InChI=1S/C8H8N2O2S/c1-4-5(3-9)7(10)13-6(4)8(11)12-2/h10H2,1-2H3
InChI Key:
PDDIXJQTRLVRCG-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1C)C#N)N
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:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties