1.0 2010-04-08 22:10:16 UTC 2019-11-26 03:07:11 UTC FDB012606 Benzyl thiocyanate Isolated from Lepidium sativum (garden cress) as a benzyl glucosinolate (see Benzyl glucosinolate <ht>LBB34-N</ht>) degradation production Benzyl thiocyanate is found in garden cress and brassicas. &alpha;-thiocyanatotoluene a-Thiocyanatotoluene alpha -Thiocyanatotoluene alpha-Thiocyanato-toluene Alpha-thiocyanatotoluene Benzyl rhodanide Benzyl thiocyanic acid Benzyl-thiocyanate Benzylrhodonid Benzylthiocyanate Phenylmethyl thiocyanate Phenylmethyl thiocyanate, 9CI Solvat 14 Thiocyanate benzyl ester Thiocyanate, phenylmethyl ester Thiocyanic acid benzyl ester Thiocyanic acid, benzyl ester Thiocyanic acid, phenylmethyl ester Toluene, &alpha;-thiocyanato- Toluene, alpha-thiocyanato- Tropeolin α-thiocyanatotoluene C8H7NS 149.213 149.029919919 (benzylsulfanyl)carbonitrile benzyl thiocyanate 3012-37-1 N#CSCC1=CC=CC=C1 InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2 ABNDFSOIUFLJAH-UHFFFAOYSA-N belongs to the class of organic compounds known as benzyl thiocyanates. These are aromatic compounds containing an thiocyanate group that is S-substituted to a benzyl group. Benzyl thiocyanates Organic compounds Benzenoids Benzene and substituted derivatives Benzyl thiocyanates Aromatic homomonocyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Sulfenyl compounds Thiocyanates Aromatic homomonocyclic compound Benzyl thiocyanate Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Sulfenyl compound Thiocyanate a small molecule thiocyanates logp 2.18 ALOGPS logs -2.34 ALOGPS solubility 6.85e-01 g/l ALOGPS melting_point Mp 41-42° logp 2.51 ChemAxon iupac (benzylsulfanyl)carbonitrile ChemAxon average_mass 149.213 ChemAxon mono_mass 149.029919919 ChemAxon smiles N#CSCC1=CC=CC=C1 ChemAxon formula C8H7NS ChemAxon inchi InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2 ChemAxon inchikey ABNDFSOIUFLJAH-UHFFFAOYSA-N ChemAxon polar_surface_area 23.79 ChemAxon refractivity 44.66 ChemAxon polarizability 15.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16566 Specdb::CMs 32156 Specdb::CMs 101603 Specdb::CMs 167876 Specdb::MsIr 6541 Specdb::MsIr 6542 Specdb::MsMs 44625 Specdb::MsMs 44626 Specdb::MsMs 44627 Specdb::MsMs 153933 Specdb::MsMs 153934 Specdb::MsMs 153935 Specdb::MsMs 2261605 Specdb::MsMs 2261606 Specdb::MsMs 2261607 Specdb::MsMs 3077433 Specdb::MsMs 3077434 Specdb::MsMs 3077435 HMDB34273 16017 #<Reference:0x000055ce32cdcbb0> #<Reference:0x000055ce32cdc8e0> #<Reference:0x000055ce32cdc6b0> #<Reference:0x000055ce32cdc4a8> #<Reference:0x000055ce32cdc250> Brassicas Unknown generic 3705 Garden cress Type 1 specific Lepidium sativum 33125 Anti neoplastic 465 A substance that inhibits or prevents the proliferation of neoplasms. Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Flatulent 935 Goitrogenic 959 Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.