1.02010-04-08 22:10:08 UTC2019-11-26 03:06:39 UTCFDB012372Methyl isothiocyanateIsolated from mustard oil, present as glucoside (Methyl glucosinolate <ht>LBB66-Y</ht>). Methyl isothiocyanate is found in horseradish.(methylimino)(thioxo)methane(Methylimino)thioxo-methaneBiomet 33Isothiocyanato-methaneIsothiocyanatomethaneIsothiocyanatomethane, 9CIIsothiocyanic acid, methyl esterMencsMethane isothiocyanateMethane, (methylimino)thioxo-Methane, isothiocyanato-Methyl isothiocyanateMethyl mustardMethyl mustard oilMethyl thioisocyanateMethylimino-sulfanylidenemethaneMICMITMITCMorton EP-161EMTCTrapexTrapex-40TrapexideTropexVorlexVortexC2H3NS73.11772.998619791isothiocyanatomethanemethyl isothiocyanate556-61-6CN=C=SInChI=1S/C2H3NS/c1-3-2-4/h1H3LGDSHSYDSCRFAB-UHFFFAOYSA-N belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.IsothiocyanatesOrganic compoundsOrganosulfur compoundsIsothiocyanatesAliphatic acyclic compoundsHydrocarbon derivativesIminesOrganopnictogen compoundsPropargyl-type 1,3-dipolar organic compoundsAliphatic acyclic compoundHydrocarbon derivativeImineIsothiocyanateOrganic 1,3-dipolar compoundOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundPropargyl-type 1,3-dipolar organic compoundNematicidesisothiocyanatelogp1.07logs-1.36solubility3.21e+00 g/lmelting_pointMp 36°logp1.07pka_strongest_basic-3iupacisothiocyanatomethaneaverage_mass73.117mono_mass72.998619791smilesCN=C=SformulaC2H3NSinchiInChI=1S/C2H3NS/c1-3-2-4/h1H3inchikeyLGDSHSYDSCRFAB-UHFFFAOYSA-Npolar_surface_area12.36refractivity21.33polarizability7.2rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs922Specdb::MsIr6406Specdb::CMs17321Specdb::CMs29017Specdb::CMs101512Specdb::CMs138039Specdb::CMs145773Specdb::NmrOneD2459Specdb::NmrOneD3149Specdb::NmrOneD124458Specdb::NmrOneD124459Specdb::NmrOneD124460Specdb::NmrOneD124461Specdb::NmrOneD124462Specdb::NmrOneD124463Specdb::NmrOneD124464Specdb::NmrOneD124465Specdb::NmrOneD124466Specdb::NmrOneD124467Specdb::NmrOneD124468Specdb::NmrOneD124469Specdb::NmrOneD124470Specdb::NmrOneD124471Specdb::NmrOneD124472Specdb::NmrOneD124473Specdb::NmrOneD124474Specdb::NmrOneD124475Specdb::NmrOneD124476Specdb::NmrOneD124477Specdb::MsMs105660Specdb::MsMs105661Specdb::MsMs105662Specdb::MsMs172206Specdb::MsMs172207Specdb::MsMs172208Specdb::MsMs2289723Specdb::MsMs2289724Specdb::MsMs2289725Specdb::MsMs2649000Specdb::MsMs2649001Specdb::MsMs2649002HMDB34106#<Reference:0x0000555675d539e8>CabbageType 1specificBrassica oleracea var. capitata3716HorseradishType 1specificArmoracia rusticana3704horseradishmustardpungent