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Home Carboxys 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

CAS No.:
19156-54-8
Catalog Number:
AG002FBP
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$69
- +
5g
97%
In Stock USA
United States
$244
- +
10g
97%
In Stock USA
United States
$438
- +
25g
97%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG002FBP
Chemical Name:
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CAS Number:
19156-54-8
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD00652575
IUPAC Name:
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C9H10O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)
InChI Key:
TUZZQEHPGHKGRJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc2c1CCCC2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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