1.0 2014-08-29 06:51:44 UTC 2026-03-25 19:29:41 UTC T3D4515 Hexythiazox SmallMolecule Hexythiazox is an exogenous organic compound with the formula C17H21ClN2O2S and an average molecular weight of 352.88 g/mol. It exists as a solid at room temperature. Hexythiazox belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. Biologically, it functions as a mite growth regulator. The compound is recorded in 17 sources. Within electrical and electronic equipment, it is found in antennas, amplifiers, line transmission systems, still video cameras, and superconducting magnets and superconducting coils, among others. In building and construction, it is associated with floors, roofs, ladders, and fencing. It is also found in household cleaning and consumer products, including pipe accessories, ash trays, and match receptacles or boxes. Additionally, it is present in drinking water and water supply, as well as in food processing and cookware, specifically in the preparation of malt and the treatment of molasses. The recorded exposure route for this compound is oral. Hexythiazox interacts with 11 recorded protein targets. These include P-selectin (SELP), interstitial collagenase (MMP1), collagen alpha-1(III) chain (COL3A1), and nuclear receptor subfamily 1 group I member 2 (NR1I2), along with seven other proteins. Pesticide Synthetic Toxin Organic Compound Organochloride Pesticide Amine Ether Amide Synthetic Compound Acaricide (4RS,5RS)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide, (4R,5R)-rel-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide C17H21ClN2O2S 352.879 352.101226323 (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboximidic acid (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboximidic acid 78587-05-0 [H][C@@]1(C)N(C(O)=NC2CCCCC2)C(=O)S[C@@]1([H])C1=CC=C(Cl)C=C1 InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1 XGWIJUOSCAQSSV-XHDPSFHLSA-N Organic compounds Benzenoids Benzene and substituted derivatives Halobenzenes Chlorobenzenes Aryl chlorides Azacyclic compounds Carbonyl compounds Carboximidamides Hydrocarbon derivatives Isoureas Organic carbonic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Thiazolidines Thiocarbamic acid derivatives Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Carbonic acid derivative Carbonyl group Carboximidamide Carboximidic acid derivative Chlorobenzene Hydrocarbon derivative Isourea Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Thiazolidine Thiocarbamic acid derivative Aromatic heteromonocyclic compounds Acaricides hexythiazox Detected and Not Quantified Exogenous Endoplasmic reticulum Membrane Solid White powder. logp 4.09 ALOGPS logs -4.63 ALOGPS solubility 8.35e-03 g/l ALOGPS logp 5.41 ChemAxon pka_strongest_acidic 2.69 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboximidic acid ChemAxon average_mass 352.879 ChemAxon mono_mass 352.101226323 ChemAxon smiles [H][C@@]1(C)N(C(O)=NC2CCCCC2)C(=O)S[C@@]1([H])C1=CC=C(Cl)C=C1 ChemAxon formula C17H21ClN2O2S ChemAxon inchi InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1 ChemAxon inchikey XGWIJUOSCAQSSV-XHDPSFHLSA-N ChemAxon polar_surface_area 52.9 ChemAxon refractivity 93.67 ChemAxon polarizability 36.85 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Oral LD50 (rat) > 5000 mg/kg bw Dermal LD50 (rat) > 5000 mg/kg bw Inhalation > 2.0 mg/l/4 h (whole body exposure) Oral LD50 (rat) > 5000 mg/kg bw Dermal LD50 (rat) > 5000 mg/kg bw Inhalation > 2.0 mg/l/4 h (whole body exposure) 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:0x00007f72270519a0> 13218777 CHEMBL1904578 10469179 C18467 CHEBI:39328 Food and Agriculture Organization of United Nations. Hexythiazox.: http://www.fao.org/fileadmin/templates/agphome/documents/Pests_Pesticides/JMPR/Report08/Hexythiazox.pdf BE0003549 AC50 5.48 uM CLZD_CYP2B6_6 CellzDirect AC50 3.73 uM CLZD_CYP2B6_24 CellzDirect AC50 1.24 uM CLZD_CYP2B6_48 CellzDirect BE0002638 AC50 3.93 uM CLZD_CYP3A4_24 CellzDirect AC50 3.20 uM CLZD_CYP3A4_48 CellzDirect BE0001777 AC50 3.62 uM OT_SRC1_SRC1FXR_1440 Odyssey Thera BE0002793 AC50 3.94 uM CLZD_CYP2C9_48 CellzDirect BE0000956 AC50 8.50 uM ATG_PXR_TRANS Attagene AC50 4.40 uM ATG_PXRE_CIS Attagene AC50 8.52 uM ATG_PXR_TRANS Attagene BE0002130 AC50 4.44 uM BSK_hDFCGF_CollagenIII_down BioSeek BE0000920 AC50 4.44 uM BSK_hDFCGF_MMP1_up BioSeek BE0001159 AC50 4.44 uM BSK_4H_Pselectin_up BioSeek BE0000886 AC50 4.89 uM CLZD_SULT2A1_48 CellzDirect BE0003543 AC50 6.54 uM CLZD_CYP1A1_48 CellzDirect BE0002433 AC50 8.16 uM CLZD_CYP1A2_48 CellzDirect