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6314-28-9,MFCD00051636
Catalog No.:AA003UP4

6314-28-9 | Benzo[b]thiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$6.00   $4.00
- +
5g
98%
in stock  
$17.00   $12.00
- +
10g
98%
in stock  
$28.00   $20.00
- +
25g
98%
in stock  
$50.00   $35.00
- +
100g
98%
in stock  
$195.00   $137.00
- +
500g
98%
in stock  
$974.00   $682.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003UP4
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid
CAS Number:
6314-28-9
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
MDL Number:
MFCD00051636
SMILES:
OC(=O)c1cc2c(s1)cccc2
Properties
Properties
 
BP:
376.2°C at 760 mmHg  
Form:
Solid  
MP:
238-243 °C  
Refractive Index:
1.5480 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.8  

Literature

Title: Identification of novel CYP2A6 inhibitors by virtual screening.

Journal: Bioorganic & medicinal chemistry 20111201

Title: Metabolites indicate hot spots of biodegradation and biogeochemical gradients in a high-resolution monitoring well.

Journal: Environmental science & technology 20110115

Title: Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor.

Journal: Bioorganic & medicinal chemistry letters 20090801

Title: Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.

Journal: Journal of medicinal chemistry 20040506

Title: Combined application of stable carbon isotope analysis and specific metabolites determination for assessing in situ degradation of aromatic hydrocarbons in a tar oil-contaminated aquifer.

Journal: Environmental science & technology 20040115

Title: Studies on osteoporosis IV. Effect of benzo[b]thiophene-2- and dibenzothiophene-4-carboxylic acid on heparin accelerated osteoporosis.

Journal: Journal of medicine 19800101

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SDS
Tags:6314-28-9 Molecular Formula|6314-28-9 MDL|6314-28-9 SMILES|6314-28-9 Benzo[b]thiophene-2-carboxylic acid