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Home Carboxys tert-Butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5h)-carboxylate

tert-Butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5h)-carboxylate

CAS No.:
150986-83-7
Catalog Number:
AG001MZ1
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$62
- +
5g
98%
In Stock USA
United States
$194
- +
10g
98%
In Stock USA
United States
$344
- +
25g
98%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG001MZ1
Chemical Name:
tert-Butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5h)-carboxylate
CAS Number:
150986-83-7
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
MDL Number:
MFCD05664037
IUPAC Name:
tert-butyl 2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
InChI:
InChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)16-5-4-8-9(6-14)11(15)19-10(8)7-16/h4-5,7,15H2,1-3H3
InChI Key:
HFWVFBQVIXKINU-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.104g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.358g/mol
Monoisotopic Mass:
279.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
3- and 6-Substituted 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridines as A1 adenosine receptor allosteric modulators and antagonists. Bioorganic & medicinal chemistry 20091015
Properties