1-Hydroxy-1-Thio-Glycerol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as sulfenic acids. These are compounds containing a sulfenic acid functional group, with the general structure RSOH (R not H).

Sulfenic acids

Organic compounds

Organic acids and derivatives

Sulfenic acids and derivatives

Sulfenic acids

Calculated Property

kind Value Source
logP -1.8 ALOGPS
logS 0.69 ALOGPS
Water Solubility 6.07e+02 g/l ALOGPS
logP -1.1 ChemAxon
IUPAC Name (2R)-3-(hydroxysulfanyl)propane-1,2-diol ChemAxon
Traditional IUPAC Name 1-hydroxy-1-thio-glycerol ChemAxon
Molecular Weight 124.159 ChemAxon
Monoisotopic Weight 124.019414812 ChemAxon
SMILES OC[C@@H](O)CSO ChemAxon
Molecular Formula C3H8O3S ChemAxon
InChI InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1 ChemAxon
InChIKey InChIKey=DLQCXFUWHQZWJQ-GSVOUGTGSA-N ChemAxon
Polar Surface Area (PSA) 60.69 ChemAxon
Refractivity 28.48 ChemAxon
Polarizability 11.89 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 13.63 ChemAxon
pKa (strongest basic) -2.9 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Prolyl endopeptidase : in Human