sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

CAS No.:
95211-67-9
Catalog Number:
AG00IITV
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$244
- +
5g
97%
In Stock USA
United States
$738
- +
10g
97%
In Stock USA
United States
$1100
- +
25g
97%
In Stock USA
United States
$1750
- +
Product Description
Catalog Number:
AG00IITV
Chemical Name:
Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number:
95211-67-9
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
MDL Number:
MFCD03786747
IUPAC Name:
ethyl 2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C12H17NO2S/c1-3-15-12(14)10-9-7(2)5-4-6-8(9)16-11(10)13/h7H,3-6,13H2,1-2H3
InChI Key:
HRPRBNMOLCLEDL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)sc2c1C(C)CCC2
Properties
Complexity:
272  
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:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Bioorganic & medicinal chemistry 20110601
Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C. Journal of medicinal chemistry 20101209
Properties