1.0 2016-10-03 18:40:55 UTC 2020-06-04 20:38:15 UTC BMDB0013780 BMDB13780 Dimethyl trisulfide Dimethyltrisulfide, also known as sulfa-hitech or DMTS, belongs to the class of organic compounds known as organic trisulfides. These are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl). Dimethyltrisulfide exists as a solid, possibly soluble (in water), and possibly neutral molecule. Dimethyltrisulfide exists in all eukaryotes, ranging from yeast to humans. Dimethyltrisulfide has been found to be associated with several diseases known as crohn's disease, pervasive developmental disorder not otherwise specified, nonalcoholic fatty liver disease, and autism; also dimethyltrisulfide has been linked to the inborn metabolic disorders including celiac disease. DMTS Dimethyl trisulphide (Methyltrisulphanyl)methane (Methyldisulfanyl)methane (methyldithio)Methane 1,3-Dimethyltrisulfane (acd/name 4.0) 2,3,4-Trithiapentane 2,3-Dithiabutane CH3SSSCH3 Dimethyl disulfide Dimethyl disulphide Dimethyl trisufide Dimethyldisulfide Disulfide dimethyl DMDS Methyl disulfide Methyl trisulfide Methyldisulfanylmethane Methyldisulfide Methyldithiomethane Sulfa-hitech Sulfa-hitech 0382 Trisulfide, dimethyl Dimethyltrisulphide C2H6S3 126.264 125.963162262 dimethyltrisulfane dimethyl trisulfide 3658-80-8 CSSSC InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3 YWHLKYXPLRWGSE-UHFFFAOYSA-N belongs to the class of organic compounds known as organic trisulfides. These are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl). Organic compounds Organosulfur compounds Organic trisulfides Organic trisulfides Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Hydrocarbon derivative Organic trisulfide Sulfenyl compound Aliphatic acyclic compounds organic trisulfide Liquid melting_point -85 °C logp 1.94 Extrapolated logp 1.26 ALOGPS logs -1.76 ALOGPS logp 1.94 ChemAxon iupac dimethyltrisulfane ChemAxon average_mass 126.264 ChemAxon mono_mass 125.963162262 ChemAxon smiles CSSSC ChemAxon formula C2H6S3 ChemAxon inchi InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3 ChemAxon inchikey YWHLKYXPLRWGSE-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 32.9 ChemAxon polarizability 12.46 ChemAxon rotatable_bond_count 2 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 1668 Specdb::NmrOneD 99918 Specdb::NmrOneD 99919 Specdb::NmrOneD 99920 Specdb::NmrOneD 99921 Specdb::NmrOneD 99922 Specdb::NmrOneD 99923 Specdb::NmrOneD 99924 Specdb::NmrOneD 99925 Specdb::NmrOneD 99926 Specdb::NmrOneD 99927 Specdb::NmrOneD 99928 Specdb::NmrOneD 99929 Specdb::NmrOneD 99930 Specdb::NmrOneD 99931 Specdb::NmrOneD 99932 Specdb::NmrOneD 99933 Specdb::NmrOneD 99934 Specdb::NmrOneD 99935 Specdb::NmrOneD 99936 Specdb::NmrOneD 99937 Specdb::CMs 2902 Specdb::CMs 26898 Specdb::CMs 100059 Specdb::CMs 135232 Specdb::CMs 142966 Specdb::MsIr 2950 Specdb::MsIr 2951 Specdb::MsMs 49152 Specdb::MsMs 49153 Specdb::MsMs 49154 Specdb::MsMs 155616 Specdb::MsMs 155617 Specdb::MsMs 155618 Specdb::MsMs 2366929 Specdb::MsMs 2366930 Specdb::MsMs 2366931 Specdb::MsMs 2598217 Specdb::MsMs 2598218 Specdb::MsMs 2598219 Milk 0.000009627 uM Pasteurized milk of brand A with 0% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.00005931 uM Pasteurized milk of brand A with 1% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.000113 uM Pasteurized milk of brand A with 2% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.000135 uM Pasteurized milk of brand A with 3.25% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.00003198 uM Pasteurized milk of brand B with 0% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.00009953 uM Pasteurized milk of brand B with 1% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.000128 uM Pasteurized milk of brand B with 2% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.000153 uM Pasteurized milk of brand B with 3.25% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.00008729 uM Raw milk with 1% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.000299 uM Raw milk with 3.25% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.000268 uM UHT processed milk with 1% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 Milk 0.000386 uM UHT processed milk with 3.25% fat Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607 FDB012458 18219 C00001246 C08372 19310 Dimethyl trisulfide Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. 16840607