1.0 2016-09-30 22:53:50 UTC 2020-05-11 20:23:14 UTC BMDB0002303 BMDB02303 Dimethylsulfide (METHYLsulfanyl)methane 2-Thiapropane [SMe2] Dimethyl sulphide DMS Methyl sulfide Methyl thioether (METHYLsulphanyl)methane Dimethyl sulfide Methyl sulphide Dimethylsulphide Dimethyl sulfoxide(reduced) Methylthiomethane 2-Thiopropane Dimethyl monosulfide Dimethyl sulfide (natural) Dimethyl thioether Dimethylsulfid Methanethiomethane Methyl monosulfide Methylthiomethyl radical MSM Reduced-dmso Thiobis-methane Thiopropane C2H6S 62.134 62.019020882 (methylsulfanyl)methane dimethyl sulfide 75-18-3 CSC InChI=1S/C2H6S/c1-3-2/h1-2H3 QMMFVYPAHWMCMS-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Organic compounds Organosulfur compounds Thioethers Dialkylthioethers Dialkylthioethers Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Dialkylthioether Hydrocarbon derivative Sulfenyl compound Aliphatic acyclic compounds aliphatic sulfide an organosulfur compound Liquid melting_point -98.3 °C water_solubility 22 mg/mL at 25 °C logp 0.59 ALOGPS logs -0.53 ALOGPS logp 1.22 ChemAxon iupac (methylsulfanyl)methane ChemAxon average_mass 62.134 ChemAxon mono_mass 62.019020882 ChemAxon smiles CSC ChemAxon formula C2H6S ChemAxon inchi InChI=1S/C2H6S/c1-3-2/h1-2H3 ChemAxon inchikey QMMFVYPAHWMCMS-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 18.89 ChemAxon polarizability 7.24 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 1845 Specdb::MsIr 1731 Specdb::MsIr 1732 Specdb::MsMs 6343 Specdb::MsMs 6344 Specdb::MsMs 6345 Specdb::MsMs 8024 Specdb::MsMs 8025 Specdb::MsMs 8026 Specdb::MsMs 14696 Specdb::MsMs 14697 Specdb::MsMs 14698 Specdb::MsMs 2459911 Specdb::MsMs 2459912 Specdb::MsMs 2459913 Specdb::MsMs 2476154 Specdb::MsMs 2476155 Specdb::MsMs 2476156 Specdb::CMs 3182 Specdb::CMs 27927 Specdb::CMs 27994 Specdb::CMs 29278 Specdb::CMs 99764 Specdb::CMs 99765 Specdb::CMs 99766 Specdb::CMs 169166 Specdb::NmrOneD 1871 Specdb::NmrOneD 3971 Specdb::NmrOneD 4254 Specdb::NmrOneD 116098 Specdb::NmrOneD 116099 Specdb::NmrOneD 116100 Specdb::NmrOneD 116101 Specdb::NmrOneD 116102 Specdb::NmrOneD 116103 Specdb::NmrOneD 116104 Specdb::NmrOneD 116105 Specdb::NmrOneD 116106 Specdb::NmrOneD 116107 Specdb::NmrOneD 116108 Specdb::NmrOneD 116109 Specdb::NmrOneD 116110 Specdb::NmrOneD 116111 Specdb::NmrOneD 116112 Specdb::NmrOneD 116113 Specdb::NmrOneD 116114 Specdb::NmrOneD 116115 Specdb::NmrOneD 116116 Specdb::NmrOneD 116117 Adipose Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Intestine Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C00580 FDB003591 1068 1039 C00053130 17437 Dimethyl_sulfide 6603 CPD-7670