sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester

2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester

CAS No.:
108354-78-5
Catalog Number:
AG008RZ4
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$50
- +
10g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$138
- +
100g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG008RZ4
Chemical Name:
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
CAS Number:
108354-78-5
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD00130099
IUPAC Name:
methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C10H13NO2S/c1-13-10(12)8-6-4-2-3-5-7(6)14-9(8)11/h2-5,11H2,1H3
InChI Key:
DKYYKIHEIOOWRB-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)sc2c1CCCC2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C. Journal of medicinal chemistry 20101209
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties