Home Carboxys 4-(cyclopentylsulfanyl)quinoline-3-carboxylic acid

4-(cyclopentylsulfanyl)quinoline-3-carboxylic acid

CAS No.:
1275908-47-8
Catalog Number:
AG01A69X
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
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Product Description
Catalog Number:
AG01A69X
Chemical Name:
4-(cyclopentylsulfanyl)quinoline-3-carboxylic acid
CAS Number:
1275908-47-8
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
MDL Number:
MFCD19110275
IUPAC Name:
4-cyclopentylsulfanylquinoline-3-carboxylic acid
InChI:
InChI=1S/C15H15NO2S/c17-15(18)12-9-16-13-8-4-3-7-11(13)14(12)19-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H,17,18)
InChI Key:
YLHSEUMPISCHNW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1SC1CCCC1)cccc2
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties