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 2.29 ALOGPS
logS -2.1 ALOGPS
Water Solubility 1.69e+00 g/l ALOGPS
logP 2.58 ChemAxon
IUPAC Name (R)-2-phenylbenzene-1-sulfinic acid ChemAxon
Traditional IUPAC Name 1,1′-biphenyl-2-sulfinic acid ChemAxon
Molecular Weight 218.272 ChemAxon
Monoisotopic Weight 218.040150254 ChemAxon
SMILES O[S@@](=O)C1=CC=CC=C1C1=CC=CC=C1 ChemAxon
Molecular Formula C12H10O2S ChemAxon
InChI InChI=1S/C12H10O2S/c13-15(14)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,13,14) ChemAxon
InChIKey InChIKey=LZCLZDCSBDVAOV-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 62.34 ChemAxon
Polarizability 22.3 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 0.96 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)