Home Carboxys 5,6,7,8-Tetrahydro-4h-cyclohepta[b]thiophene-2-carboxylic acid

5,6,7,8-Tetrahydro-4h-cyclohepta[b]thiophene-2-carboxylic acid

CAS No.:
40133-08-2
Catalog Number:
AG00C8JX
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
1 week
United States
$94
- +
Product Description
Catalog Number:
AG00C8JX
Chemical Name:
5,6,7,8-Tetrahydro-4h-cyclohepta[b]thiophene-2-carboxylic acid
CAS Number:
40133-08-2
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD01927322
IUPAC Name:
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid
InChI:
InChI=1S/C10H12O2S/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h6H,1-5H2,(H,11,12)
InChI Key:
FUUKNDGHOIUHLN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)CCCCC2
Properties
Complexity:
205  
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:
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