1.02010-04-08 22:15:35 UTC2018-05-29 01:50:30 UTCFDB0212842-EthylbenzenethiolFlavouring ingredient especies for instant coffee2-Ethyl-benzenethiol2-EthylthiophenolBenzenethiol, 2-ethyl-FEMA 3345O-ethylthiophenolC8H10S138.23138.050321012-ethylbenzene-1-thiol2-ethylbenzenethiol4500-58-7CCC1=CC=CC=C1SInChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3ABROBCBIIWHVNS-UHFFFAOYSA-N belongs to the class of organic compounds known as thiophenols. Thiophenols are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.ThiophenolsOrganic compoundsBenzenoidsThiophenolsAromatic homomonocyclic compoundsBenzene and substituted derivativesHydrocarbon derivativesThiolsAromatic homomonocyclic compoundArylthiolHydrocarbon derivativeMonocyclic benzene moietyOrganosulfur compoundThiophenollogp3.49logs-3.02solubility1.32e-01 g/llogp3.02pka_strongest_acidic6.81iupac2-ethylbenzene-1-thiolaverage_mass138.23mono_mass138.05032101smilesCCC1=CC=CC=C1SformulaC8H10SinchiInChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3inchikeyABROBCBIIWHVNS-UHFFFAOYSA-Npolar_surface_area0refractivity43.71polarizability15.74rotatable_bond_count1acceptor_count0donor_count1physiological_charge-1formal_charge0Specdb::MsIr9204Specdb::MsIr9205Specdb::MsIr9206Specdb::CMs9664Specdb::CMs164976Specdb::MsMs287329Specdb::MsMs287330Specdb::MsMs287331Specdb::MsMs326146Specdb::MsMs326147Specdb::MsMs326148Specdb::MsMs2417500Specdb::MsMs2417501Specdb::MsMs2417502Specdb::MsMs2547817Specdb::MsMs2547818Specdb::MsMs2547819HMDB41361#<Reference:0x000055567486eeb0>roastedsulfurous