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Ethyl 2-amino-5-propylthiophene-3-carboxylate

CAS No.:
76575-31-0
Catalog Number:
AG003Q3C
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG003Q3C
Chemical Name:
Ethyl 2-amino-5-propylthiophene-3-carboxylate
CAS Number:
76575-31-0
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD01922211
IUPAC Name:
ethyl 2-amino-5-propylthiophene-3-carboxylate
InChI:
InChI=1S/C10H15NO2S/c1-3-5-7-6-8(9(11)14-7)10(12)13-4-2/h6H,3-5,11H2,1-2H3
InChI Key:
LSUJHERAEYXQKQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(sc1N)CCC
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia. Nature chemical biology 20120129
Properties