1.0 2010-04-08 22:05:50 UTC 2025-11-18 22:53:01 UTC FDB003530 1,2-Dimercaptocyclopentane 1,2-dimercaptocyclopentane is a member of the class of compounds known as alkylthiols. Alkylthiols are organic compounds containing the thiol functional group linked to an alkyl chain. 1,2-dimercaptocyclopentane is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1,2-dimercaptocyclopentane can be found in soft-necked garlic, which makes 1,2-dimercaptocyclopentane a potential biomarker for the consumption of this food product. C5H10S2 134.26 134.02239267 cyclopentane-1,2-dithiol cyclopentane-1,2-dithiol SC1CCCC1S InChI=1S/C5H10S2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2 YZVNURZNMBCWGG-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic homomonocyclic compounds Hydrocarbon derivatives Aliphatic homomonocyclic compound Alkylthiol Hydrocarbon derivative logp 1.76 ALOGPS logs -2.77 ALOGPS solubility 2.31e-01 g/l ALOGPS logp 1.9 ChemAxon pka_strongest_acidic 9.65 ChemAxon iupac cyclopentane-1,2-dithiol ChemAxon average_mass 134.26 ChemAxon mono_mass 134.02239267 ChemAxon smiles SC1CCCC1S ChemAxon formula C5H10S2 ChemAxon inchi InChI=1S/C5H10S2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2 ChemAxon inchikey YZVNURZNMBCWGG-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 38.35 ChemAxon polarizability 14.82 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63516 Specdb::MsMs 63517 Specdb::MsMs 63518 Specdb::MsMs 120480 Specdb::MsMs 120481 Specdb::MsMs 120482 Specdb::MsMs 3599192 Specdb::MsMs 3599193 Specdb::MsMs 3599194 Specdb::MsMs 3599195 Specdb::MsMs 3599196 Specdb::MsMs 3599197 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 0.24 0.24 0.24 mg/100 g