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Home Carboxys Ethyl 5-amino-3-methylisothiazole-4-carboxylate

Ethyl 5-amino-3-methylisothiazole-4-carboxylate

CAS No.:
34859-65-9
Catalog Number:
AG00C0ES
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$88
- +
1g
97%
In Stock USA
United States
$225
- +
5g
97%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG00C0ES
Chemical Name:
Ethyl 5-amino-3-methylisothiazole-4-carboxylate
CAS Number:
34859-65-9
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
MDL Number:
MFCD00097916
IUPAC Name:
ethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
InChI:
InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-4(2)9-12-6(5)8/h3,8H2,1-2H3
InChI Key:
ZDGBWOZFPKNORL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)snc1C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists. Journal of medicinal chemistry 20081009
Properties