1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.

Diarylthioethers

Organic compounds

Organosulfur compounds

Thioethers

Diarylthioethers

Calculated Property

kind Value Source
logP 1.09 ALOGPS
logS -2.8 ALOGPS
Water Solubility 4.87e-01 g/l ALOGPS
logP 1.55 ChemAxon
IUPAC Name 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon
Traditional IUPAC Name HEPT ChemAxon
Molecular Weight 308.353 ChemAxon
Monoisotopic Weight 308.0830777 ChemAxon
SMILES CC1=C(SC2=CC=CC=C2)N(COCCO)C(=O)NC1=O ChemAxon
Molecular Formula C14H16N2O4S ChemAxon
InChI InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19) ChemAxon
InChIKey InChIKey=HDMHBHNRWDNNCD-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 78.87 ChemAxon
Refractivity 89.35 ChemAxon
Polarizability 30.59 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.89 ChemAxon
pKa (strongest basic) -2.7 ChemAxon
Physiological Charge 0 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

  • Gag-Pol polyprotein : in HIV-1