{"Abbreviation":["3-Thiotoluene"],"Aliases":["Thiophene, 3-methyl-","3-Thiotolene","β-Methylthiophene","3-methyl-thiophene","Methyl-3-thiophene","CCRIS 2937","P3MT","b-Thiotolene","3-methyl thiophene","3-Thienylmethane","3-Methylthiophene, 98%","Wln: t5sj c1","5-17-01-00331","84928-92-7","3-Methylthiophene, analytical standard","PS-9336","Msk170715-1000m","M0440","En300-55387","F003448","3-Methylthiophene Solution in Methanol, 1000ug/mL","F0001-1633","InChI=1/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H"],"Boiling Point":"115.00 °C","CAS":"616-44-4","ChEBI":"CHEBI:89007","ChemicalClasses":[],"Chirality":"achiral","Classes":[],"EINECS":"210-482-6","Esters":[],"European Community (EC) Number":"210-482-6","Formating":[],"HMDB ID":"HMDB0033119","HeavyAtomCount":6,"IUPACName":"3-methylthiophene","InChI":"InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3","InChIKey":"QENGPZGAWFQWCZ-UHFFFAOYSA-N","LC50":[{"dosages":[{"amount":"18 gm/m3/2H","route":"inhalation"}],"organism":"Mouse"},{"dosages":[{"amount":"18 gm/m3","route":"inhalation"}],"organism":"Mammal (species unspecified)"}],"LD50":[{"dosages":[{"amount":"1800 mg/kg","route":"oral"}],"organism":"Mouse"}],"Melting Point":"-69 °C","MolecularFormula":"C\u003csub\u003e5\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eS","MolecularWeight":"98.17 g/mol","Physical Description":"Clear light yellow liquid; [Sigma-Aldrich MSDS]","PubChemId":12024,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/3-Methylthiophene","Name":"3-Methylthiophene","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q27161143","Name":"3-Methylthiophene","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/12024","Name":"3-Methylthiophene","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89007","Name":"3-Methylthiophene","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=616-44-4","Name":"3-Methylthiophene","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0033119","Name":"3-Methylthiophene","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/FK9ID0X5QV","Name":"3-Methylthiophene","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID8060666","Name":"3-Methylthiophene","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 12024, 3-Methylthiophene. Accessed October 2, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/12024\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/12024\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 3-Methylthiophene. UNII: FK9ID0X5QV. Global Substance Registration System. Accessed October 2, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FK9ID0X5QV\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/FK9ID0X5QV\u003c/a\u003e"],"SMILES":"CC1=CSC=C1","SaltData":[],"Salts":[],"Solubility":"0.4 mg/mL at 25 °C","StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 42.341 26.552\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#c6c62c\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h43v27H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m.945 15.836 15.156-1.6\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m16.101 14.236 10.157 11.261M19.099 13.92l7.792 8.638\"/\u003e\u003c/g\u003e\u003cpath d=\"m26.258 25.497 11.169-4.894M39.802 15.462l-1.25-11.258\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M38.552 4.204 23.721 1.038M36.322 6.222 24.946 3.793\"/\u003e\u003c/g\u003e\u003cpath d=\"m16.101 14.236 7.62-13.198\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"M41.781 20.509q0 .649-.476 1.018-.471.363-1.268.363-.417 0-.768-.065-.346-.06-.578-.173v-.589q.244.113.607.202.369.089.762.089.548 0 .828-.214t.28-.577q0-.238-.108-.399-.101-.167-.351-.31t-.696-.297q-.625-.227-.947-.554-.315-.333-.315-.899 0-.393.196-.667.202-.279.554-.428.357-.155.815-.155.405 0 .738.077.34.072.614.197l-.197.53q-.25-.114-.547-.185-.298-.077-.626-.077-.458 0-.69.196-.232.197-.232.518 0 .244.101.411.107.166.339.297.232.125.631.28.429.155.727.34.297.178.452.434.155.25.155.637\" class=\"atom\"/\u003e\u003cpath stroke=\"#c6c62c\" d=\"m37.427 20.603-5.584 2.447M39.802 15.462l-.625-5.629\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Subjective Effects":null,"Title":"3-Methylthiophene","Toxicity Data":"LC50 (mouse) = 18,000 mg/m3/2hr","UNII":"FK9ID0X5QV","Wikidata":"Q27161143","Wikipedia":"3-Methylthiophene","XLogP":2.3}