Home Carboxys 3-Methylbenzo[b]thiophene-2-carboxylic acid

3-Methylbenzo[b]thiophene-2-carboxylic acid

CAS No.:
3133-78-6
Catalog Number:
AG003JQO
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$156
- +
5g
95%
1 week
United States
$391
- +
Product Description
Catalog Number:
AG003JQO
Chemical Name:
3-Methylbenzo[b]thiophene-2-carboxylic acid
CAS Number:
3133-78-6
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
MDL Number:
MFCD01830305
IUPAC Name:
3-methyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H8O2S/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
YVKLUKXESFJRCE-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1C)cccc2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties