Home Carboxys 1-(phenylsulfanyl)cyclopentane-1-carboxylic acid

1-(phenylsulfanyl)cyclopentane-1-carboxylic acid

CAS No.:
57557-65-0
Catalog Number:
AG01AH5B
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AH5B
Chemical Name:
1-(phenylsulfanyl)cyclopentane-1-carboxylic acid
CAS Number:
57557-65-0
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
MDL Number:
MFCD01735383
IUPAC Name:
1-phenylsulfanylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H14O2S/c13-11(14)12(8-4-5-9-12)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
InChI Key:
UZNNSIJKERNYGE-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)Sc1ccccc1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.071g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.302g/mol
Monoisotopic Mass:
222.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties