Home Carboxys 1-[(4-methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid

1-[(4-methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid

CAS No.:
1250016-34-2
Catalog Number:
AG019YIM
Molecular Formula:
C13H16O2S
Molecular Weight:
236.3299
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Product Description
Catalog Number:
AG019YIM
Chemical Name:
1-[(4-methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid
CAS Number:
1250016-34-2
Molecular Formula:
C13H16O2S
Molecular Weight:
236.3299
MDL Number:
MFCD14637517
IUPAC Name:
1-(4-methylphenyl)sulfanylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H16O2S/c1-10-4-6-11(7-5-10)16-13(12(14)15)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChI Key:
KSYOENLPZJEDKZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)Sc1ccc(cc1)C
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.329g/mol
Monoisotopic Mass:
236.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties