Home Carboxys 5-Amino-1-benzothiophene-2-carboxylic acid

5-Amino-1-benzothiophene-2-carboxylic acid

CAS No.:
98589-46-9
Catalog Number:
AG0067DW
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0067DW
Chemical Name:
5-Amino-1-benzothiophene-2-carboxylic acid
CAS Number:
98589-46-9
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD01159705
IUPAC Name:
5-amino-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H7NO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,10H2,(H,11,12)
InChI Key:
BGGKOIDGMQOPPH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc(s2)C(=O)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Antistaphylococcal activity of DNA-interactive pyrrolobenzodiazepine (PBD) dimers and PBD-biaryl conjugates. The Journal of antimicrobial chemotherapy 20120701
Properties