1.0 2010-04-08 22:10:08 UTC 2019-11-26 03:06:39 UTC FDB012372 Methyl isothiocyanate Isolated from mustard oil, present as glucoside (Methyl glucosinolate <ht>LBB66-Y</ht>). Methyl isothiocyanate is found in horseradish. (methylimino)(thioxo)methane (Methylimino)thioxo-methane Biomet 33 Isothiocyanato-methane Isothiocyanatomethane Isothiocyanatomethane, 9CI Isothiocyanic acid, methyl ester Mencs Methane isothiocyanate Methane, (methylimino)thioxo- Methane, isothiocyanato- Methyl isothiocyanate Methyl mustard Methyl mustard oil Methyl thioisocyanate Methylimino-sulfanylidenemethane MIC MIT MITC Morton EP-161E MTC Trapex Trapex-40 Trapexide Tropex Vorlex Vortex C2H3NS 73.117 72.998619791 isothiocyanatomethane methyl isothiocyanate 556-61-6 CN=C=S InChI=1S/C2H3NS/c1-3-2-4/h1H3 LGDSHSYDSCRFAB-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. Isothiocyanates Organic compounds Organosulfur compounds Isothiocyanates Aliphatic acyclic compounds Hydrocarbon derivatives Imines Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Hydrocarbon derivative Imine Isothiocyanate Organic 1,3-dipolar compound Organic nitrogen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Nematicides isothiocyanate logp 1.07 ALOGPS logs -1.36 ALOGPS solubility 3.21e+00 g/l ALOGPS melting_point Mp 36° logp 1.07 ChemAxon pka_strongest_basic -3 ChemAxon iupac isothiocyanatomethane ChemAxon average_mass 73.117 ChemAxon mono_mass 72.998619791 ChemAxon smiles CN=C=S ChemAxon formula C2H3NS ChemAxon inchi InChI=1S/C2H3NS/c1-3-2-4/h1H3 ChemAxon inchikey LGDSHSYDSCRFAB-UHFFFAOYSA-N ChemAxon polar_surface_area 12.36 ChemAxon refractivity 21.33 ChemAxon polarizability 7.2 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6406 Specdb::EiMs 922 Specdb::CMs 17321 Specdb::CMs 29017 Specdb::CMs 101512 Specdb::CMs 138039 Specdb::CMs 145773 Specdb::NmrOneD 2459 Specdb::NmrOneD 3149 Specdb::NmrOneD 124458 Specdb::NmrOneD 124459 Specdb::NmrOneD 124460 Specdb::NmrOneD 124461 Specdb::NmrOneD 124462 Specdb::NmrOneD 124463 Specdb::NmrOneD 124464 Specdb::NmrOneD 124465 Specdb::NmrOneD 124466 Specdb::NmrOneD 124467 Specdb::NmrOneD 124468 Specdb::NmrOneD 124469 Specdb::NmrOneD 124470 Specdb::NmrOneD 124471 Specdb::NmrOneD 124472 Specdb::NmrOneD 124473 Specdb::NmrOneD 124474 Specdb::NmrOneD 124475 Specdb::NmrOneD 124476 Specdb::NmrOneD 124477 Specdb::MsMs 105660 Specdb::MsMs 105661 Specdb::MsMs 105662 Specdb::MsMs 172206 Specdb::MsMs 172207 Specdb::MsMs 172208 Specdb::MsMs 2289723 Specdb::MsMs 2289724 Specdb::MsMs 2289725 Specdb::MsMs 2649000 Specdb::MsMs 2649001 Specdb::MsMs 2649002 HMDB34106 #<Reference:0x00005612730c0900> Cabbage Type 1 specific Brassica oleracea var. capitata 3716 Horseradish Type 1 specific Armoracia rusticana 3704 horseradish mustard pungent