2′-HYDROXY-1,1′-BIPHENYL-2-SULFINIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Biphenyls and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 2.1 ALOGPS
logS -1.9 ALOGPS
Water Solubility 3.02e+00 g/l ALOGPS
logP 2.28 ChemAxon
IUPAC Name (R)-2-(2-hydroxyphenyl)benzene-1-sulfinic acid ChemAxon
Traditional IUPAC Name (R)-2-(2-hydroxyphenyl)benzenesulfinic acid ChemAxon
Molecular Weight 234.271 ChemAxon
Monoisotopic Weight 234.035064876 ChemAxon
SMILES OC1=CC=CC=C1C1=CC=CC=C1[S@@](O)=O ChemAxon
Molecular Formula C12H10O3S ChemAxon
InChI InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15) ChemAxon
InChIKey InChIKey=HPKSNFTYZHYEKV-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 57.53 ChemAxon
Refractivity 64.32 ChemAxon
Polarizability 23.08 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 0.88 ChemAxon
pKa (strongest basic) -5.6 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 2′-hydroxybiphenyl-2-sulfinate desulfinase : in Rhodococcus sp. (strain IGTS8)