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Home Carboxys Propyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Propyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS No.:
302561-09-7
Catalog Number:
AG002ZDC
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG002ZDC
Chemical Name:
Propyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number:
302561-09-7
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
MDL Number:
MFCD00449584
IUPAC Name:
propyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C12H17NO2S/c1-2-7-15-12(14)10-8-5-3-4-6-9(8)16-11(10)13/h2-7,13H2,1H3
InChI Key:
PADGJVHWIWPICX-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1c(N)sc2c1CCCC2
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
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