1.0 2010-04-08 22:10:11 UTC 2019-11-26 03:06:50 UTC FDB012458 Dimethyl trisulfide Found in essential oil of hop (Humulus lupulus), garlic (Allium sativum), shallot (Allium cepa) and ramsons (Allium ursinum)and is also found in pineapple, raw cabbage, kohrabi, roasted filberts, roasted peanuts, edible mushrooms, brussel sprouts, fermented radish, Chinese cabbage, parsnips, scallop and squid. The major off-flavour principle of overcooked brassicas. Flavouring ingredient. 1,3-Dimethyltrisulfane 1,3-Dimethyltrisulfane (acd/name 4.0) 2,3,4-Trithiapentane CH3SSSCH3 Dimethyl disulfide Dimethyl trisufide Dimethyl trisulphide Dimethyltrisulfane DMTS FEMA 3275 Methyl trisulfide Methyl trisulfide (8CI) Methyl trisulfide, 8CI Trisulfane, dimethyl- Trisulfide, dimethyl 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 trisulfides Organic compounds Organosulfur compounds Organic trisulfides Aliphatic acyclic compounds Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Hydrocarbon derivative Organic trisulfide Sulfenyl compound organic trisulfide Liquid logp 1.26 ALOGPS logs -1.76 ALOGPS solubility 2.20e+00 g/l 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 Specdb::EiMs 1668 Specdb::CMs 2902 Specdb::CMs 26898 Specdb::CMs 100059 Specdb::CMs 135232 Specdb::CMs 142966 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::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 HMDB13780 #<Reference:0x000055ce3052eb68> #<Reference:0x000055ce3052e9b0> #<Reference:0x000055ce3052e7f8> #<Reference:0x000055ce3052e640> Allium Type 1 specific Allium 4678 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Blackberry Type 1 specific Rubus Brassicas Unknown generic 3705 Breakfast cereal Type 2 specific Broccoli Type 1 specific Brassica oleracea var. italica 36774 Buffalo Type 1 specific Bubalus bubalis 89462 Cabbage Type 1 specific Brassica oleracea var. capitata 3716 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Cereals and cereal products Unknown generic Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Common mushroom Type 1 specific Agaricus bisporus 5341 Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/L Cucumber Type 1 specific Cucumis sativus 3659 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Garlic Type 1 specific Allium sativum 4682 Green bean Type 1 specific Phaseolus vulgaris 3885 Green onion Type 1 Greylag goose Type 1 specific Anser anser 8843 Guava Type 1 specific Psidium guajava 120290 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 4.75 4.75 4.75 mg/100 g Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.000147 0.000386 0.000009627 uM Mollusks Unknown generic 6447 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Mushrooms Unknown generic Nuts Unknown generic Onion-family vegetables Unknown generic Ostrich Type 1 specific Struthio camelus 8801 Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red onion Type 1 Rock ptarmigan Type 1 specific Lagopus muta 64668 Root vegetables Unknown generic Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Shiitake Type 1 specific Lentinus edodes 5353 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 0.99 0.99 0.99 mg/100 g Squab Type 1 specific Columba 8931 Tortilla chip Type 2 specific Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Welsh onion Type 1 specific Allium fistulosum 35875 White cabbage Type 1 specific Brassica oleracea L. var. capitata L. f. alba DC. Wild boar Type 1 specific Sus scrofa 9823 cabbage cooked fish meaty onion savory sulfur sulfurous