200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 855198-83-3
855198-83-3 | 4-(Cyclopentylsulfanyl)benzoic acid
CAS No: 855198-83-3 Catalog No: AG00IDOV MDL No:MFCD09738409
Product Description
Catalog Number:
AG00IDOV
Chemical Name:
4-(Cyclopentylsulfanyl)benzoic acid
CAS Number:
855198-83-3
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
MDL Number:
MFCD09738409
IUPAC Name:
4-cyclopentylsulfanylbenzoic acid
InChI:
InChI=1S/C12H14O2S/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,13,14)
InChI Key:
LUPXZOGBGAFZNK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)SC1CCCC1
Properties
Complexity:
216
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:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.