sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

CAS No.:
588698-05-9
Catalog Number:
AG00EA5Q
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00EA5Q
Chemical Name:
5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CAS Number:
588698-05-9
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD03944879
IUPAC Name:
5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H12O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h5-6H,2-4H2,1H3,(H,11,12)
InChI Key:
AKQCTDMGIZKFRX-UHFFFAOYSA-N
SMILES:
CC1CCc2c(C1)cc(s2)C(=O)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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