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Home Carboxys 5-Methoxybenzo[b]thiophene-2-carboxylic acid

5-Methoxybenzo[b]thiophene-2-carboxylic acid

CAS No.:
23046-02-8
Catalog Number:
AG002LZG
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$69
- +
250mg
95%
In Stock USA
United States
$138
- +
1g
95%
In Stock USA
United States
$263
- +
5g
95%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG002LZG
Chemical Name:
5-Methoxybenzo[b]thiophene-2-carboxylic acid
CAS Number:
23046-02-8
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
MDL Number:
MFCD07371536
IUPAC Name:
5-methoxy-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H8O3S/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
CSMSEXYPAWBSCB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(s2)C(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.231g/mol
Monoisotopic Mass:
208.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. Journal of medicinal chemistry 20040506
Properties