1.0 2013-04-25 07:56:53 UTC 2026-08-24 15:12:08 UTC T3D3882 Metribuzin SmallMolecule Metribuzin is an exogenous organic compound with the formula C8H14N4OS and an average molecular weight of 214.29 g/mol. It exists as a solid at room temperature. Metribuzin belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. In industrial applications, the compound serves as a herbicide, biocide, and degradant or impurity (PMC10698095). It has been identified in nine recorded sources, including drinking water, indoor air, and floors. Additionally, it is found in molasses and the treatment of molasses, cigar cigarettes, and electrical and electronic equipment such as power cables, fixed capacitors, electric switches, and electrically stimulated smoking devices. Recorded exposure routes for the compound include oral and inhalation. Metribuzin interacts with 11 recorded protein targets, which include the tumor necrosis factor receptor superfamily member 5 (CD40), C-C motif chemokine 2 (CCL2), C-X-C motif chemokine 10 (CXCL10), and collagen alpha-1(III) chain (COL3A1), among seven other proteins. Pesticide Synthetic Toxin Organic Compound Pesticide Ether Herbicide Synthetic Compound 3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one 4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one 4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one 4-Amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one 4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one 4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one 4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one 4-Amino-6-tert-butyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one 4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one 4-Amino-6-tert-butyl-3-methylthio-as-triazin-5-one 4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one Sencor Sencoral Sencorer Sencorex L.F. Sengoral C8H14N4OS 214.288 214.08883178 4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one sencor 21087-64-9 CSC1=NN=C(C(=O)N1N)C(C)(C)C InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 FOXFZRUHNHCZPX-UHFFFAOYSA-N Organic compounds Organosulfur compounds Thioethers Aryl thioethers Aryl thioethers 1,2,4-triazines Alkylarylthioethers Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Sulfenyl compounds 1,2,4-triazine Alkylarylthioether Aromatic heteromonocyclic compound Aryl thioether Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Sulfenyl compound Triazine Aromatic heteromonocyclic compounds 1,2,4-triazines Triazine herbicides Triazinone herbicides cyclic ketone organic sulfide Detected and Not Quantified Exogenous Cytoplasm Extracellular Solid White powder. logp 1.7 logp 1.54 ALOGPS logs -2.20 ALOGPS solubility 1.36e+00 g/l ALOGPS logp 1.96 ChemAxon pka_strongest_basic 2.46 ChemAxon iupac 4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one ChemAxon average_mass 214.288 ChemAxon mono_mass 214.08883178 ChemAxon smiles CSC1=NN=C(C(=O)N1N)C(C)(C)C ChemAxon formula C8H14N4OS ChemAxon inchi InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 ChemAxon inchikey FOXFZRUHNHCZPX-UHFFFAOYSA-N ChemAxon polar_surface_area 71.05 ChemAxon refractivity 58 ChemAxon polarizability 22.08 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon No indication of carcinogenicity to humans (not listed by IARC). This is a man-made compound that is used as a pesticide. #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225bc9b18> 30479 CHEMBL1902519 28287 C14332 BE0002793 AC50 0.01 uM CLZD_CYP2C9_6 CellzDirect AC50 6.72 uM CLZD_CYP2C9_48 CellzDirect AC50 0.01 uM CLZD_CYP2C9_6 CellzDirect BE0001047 AC50 1.48 uM BSK_SM3C_MCP1_down BioSeek BE0000934 AC50 1.48 uM BSK_KF3CT_IP10_up BioSeek BE0002130 AC50 1.48 uM BSK_hDFCGF_CollagenIII_down BioSeek BE0000920 AC50 1.48 uM BSK_hDFCGF_MMP1_down BioSeek BE0000240 AC50 1.48 uM BSK_hDFCGF_PAI1_down BioSeek BE0002638 AC50 3.95 uM CLZD_CYP3A4_6 CellzDirect BE0000499 AC50 4.44 uM BSK_SM3C_LDLR_down BioSeek BE0001196 AC50 4.44 uM BSK_SAg_CD40_down BioSeek BE0000717 AC50 4.44 uM BSK_SM3C_uPAR_down BioSeek BE0003549 AC50 5.50 uM CLZD_CYP2B6_6 CellzDirect AC50 7.68 uM CLZD_CYP2B6_24 CellzDirect AC50 9.79 uM CLZD_CYP2B6_48 CellzDirect