{"Abbreviation":["2-Thiotoluene"],"Aliases":["Thiophene, 2-methyl-","α-Methylthiophene","CCRIS 2936","2-Methylthiacyclopentadiene","2-thiotolene","2-methylthiophen","AI3-15911","Fema no. 4928","αMethylthiophene","Thiophene, 2methyl","RefChem:476298","209-063-0","InChI=1/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H","2-methyl thiophene","2-methyl-thiophene","C5H6S","25154-40-9","Thiophene, methyl-","a-Thiotolene","5-Methyl-2-thiophene","2-Methylthiophene, 98%","orb2944191","Hy-w010615r","STR03626","2-Methylthiophene, analytical standard"],"Boiling Point":"112.00 °C","CAS":"554-14-3","ChEBI":"CHEBI:141567","ChemicalClasses":[],"Chirality":"achiral","Classes":[],"EINECS":"209-063-0","Esters":[],"European Community (EC) Number":"209-063-0","Formating":[],"HMDB ID":"HMDB0033118","HeavyAtomCount":6,"IUPACName":"2-methylthiophene","InChI":"InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3","InChIKey":"XQQBUAPQHNYYRS-UHFFFAOYSA-N","LC50":[{"dosages":[{"amount":"11500 mg/m3/2H","route":"inhalation"}],"organism":"Mouse"}],"LD50":[{"dosages":[{"amount":"3200 mg/kg","route":"oral"},{"amount":"1 gm/kg","route":"intraperitoneal"}],"organism":"Rat"},{"dosages":[{"amount":"1460 mg/kg","route":"oral"}],"organism":"Mouse"}],"Melting Point":"-63.4 °C","MolecularFormula":"C\u003csub\u003e5\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eS","MolecularWeight":"98.17 g/mol","Physical Description":"Clear colorless liquid; [Sigma-Aldrich MSDS]","PubChemId":11126,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/2-Methylthiophene","Name":"2-Methylthiophene","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q15632818","Name":"2-Methylthiophene","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/11126","Name":"2-Methylthiophene","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141567","Name":"2-Methylthiophene","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=554-14-3","Name":"2-Methylthiophene","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0033118","Name":"2-Methylthiophene","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/7115JAP77A","Name":"2-Methylthiophene","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID3060291","Name":"2-Methylthiophene","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 11126, 2-Methylthiophene. Accessed October 2, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/11126\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/11126\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 2-Methylthiophene. UNII: 7115JAP77A. Global Substance Registration System. Accessed October 2, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7115JAP77A\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/7115JAP77A\u003c/a\u003e"],"SMILES":"CC1=CC=CS1","SaltData":[],"Salts":[],"Solubility":"112.6 mg/L @ 25 °C (exp)","StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 41.126 27.548\"\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 0h42v28H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m40.124 20.256-14.488-4.727\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M25.636 15.529 20.963 1M22.774 14.595 19.186 3.439\"/\u003e\u003c/g\u003e\u003cpath d=\"M20.963 1H5.723\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M5.723 1 1.049 15.529M7.5 3.439 3.911 14.595\"/\u003e\u003c/g\u003e\u003cpath d=\"m1.049 15.529 9.666 7.03M25.636 15.529l-9.685 7.044\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"M14.887 25.607q0 .649-.476 1.018-.47.363-1.268.363-.417 0-.768-.065-.345-.06-.577-.173v-.589q.244.113.607.202.369.089.762.089.548 0 .827-.214.28-.214.28-.577 0-.238-.107-.399-.101-.167-.351-.31t-.697-.297q-.625-.227-.946-.554-.316-.333-.316-.899 0-.393.197-.667.202-.28.553-.428.358-.155.816-.155.405 0 .738.077.339.072.613.197l-.196.53q-.25-.114-.548-.185-.297-.077-.625-.077-.458 0-.69.196-.233.196-.233.518 0 .244.102.411.107.166.339.297.232.125.631.28.429.155.726.34.298.178.453.434.154.25.154.637\" class=\"atom\"/\u003e\u003cpath stroke=\"#c6c62c\" d=\"m10.715 22.559-4.833-3.515M15.951 22.573l4.843-3.522\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Subjective Effects":null,"Title":"2-Methylthiophene","Toxicity Data":"LC50 (mouse) = 11,500 mg/m3/2hr","UNII":"7115JAP77A","Wikidata":"Q15632818","Wikipedia":"2-Methylthiophene","XLogP":2.3}