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Home Carboxys 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid

4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid

CAS No.:
29179-41-7
Catalog Number:
AG002XLF
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG002XLF
Chemical Name:
4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
CAS Number:
29179-41-7
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
MDL Number:
MFCD01569125
IUPAC Name:
4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
InChI:
InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)
InChI Key:
IGBRCZHGFVMFCR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)c1ccccc1CC2
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.281g/mol
Monoisotopic Mass:
230.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties