1.0 2010-04-08 22:12:21 UTC 2019-11-26 03:13:01 UTC FDB016309 3-Methyl-1,2,4-trithiane 3-Methyl-1,2,4-trithiane is a cysteine derived Maillard product. used as a flavouring ingredient. It is found in aroma of cooked beef, roasted sesame seed oil, yeast extracts and durian fruit (Durio zibethinus). 1,2,4-Trithiane, 3-methyl 1,2,4-Trithiane, 3-methyl- 3-Methyl-1,2,4-trithiacyclohexane FEMA 3718 C4H8S3 152.301 151.978812326 3-methyl-1,2,4-trithiane 3-methyl-1,2,4-trithiane 43040-01-3 CC1SCCSS1 InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3 UXPUEXDAOSQIQS-UHFFFAOYSA-N belongs to the class of organic compounds known as trithianes. These are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and three carbon atoms. Trithianes Organic compounds Organoheterocyclic compounds Trithianes Aliphatic heteromonocyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic disulfides Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Organic disulfide Thioether Trithiane logp 1.72 ALOGPS logs -2.52 ALOGPS solubility 4.62e-01 g/l ALOGPS logp 1.62 ChemAxon iupac 3-methyl-1,2,4-trithiane ChemAxon average_mass 152.301 ChemAxon mono_mass 151.978812326 ChemAxon smiles CC1SCCSS1 ChemAxon formula C4H8S3 ChemAxon inchi InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3 ChemAxon inchikey UXPUEXDAOSQIQS-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 42.22 ChemAxon polarizability 15.47 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3437 Specdb::CMs 146218 Specdb::MsIr 7500 Specdb::MsIr 7501 Specdb::MsMs 71025 Specdb::MsMs 71026 Specdb::MsMs 71027 Specdb::MsMs 129618 Specdb::MsMs 129619 Specdb::MsMs 129620 Specdb::MsMs 2468356 Specdb::MsMs 2468357 Specdb::MsMs 2468358 Specdb::MsMs 2497763 Specdb::MsMs 2497764 Specdb::MsMs 2497765 Specdb::NmrOneD 263348 Specdb::NmrOneD 263349 Specdb::NmrOneD 263350 Specdb::NmrOneD 263351 Specdb::NmrOneD 263352 Specdb::NmrOneD 263353 Specdb::NmrOneD 263354 Specdb::NmrOneD 263355 Specdb::NmrOneD 263356 Specdb::NmrOneD 263357 Specdb::NmrOneD 263358 Specdb::NmrOneD 263359 Specdb::NmrOneD 263360 Specdb::NmrOneD 263361 Specdb::NmrOneD 263362 Specdb::NmrOneD 263363 Specdb::NmrOneD 263364 Specdb::NmrOneD 263365 Specdb::NmrOneD 263366 Specdb::NmrOneD 263367 HMDB37290 #<Reference:0x000055ce31d68350> Fats and oils Unknown generic Fruits Unknown generic