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Basic information
- Standard SMILES
C[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1- InChIKey
XGWIJUOSCAQSSV-XHDPSFHLSA-N- Molecular formula
- C17H21ClN2O2S
- Average molar mass
- 352.887 g/mol
- Monoisotopic mass
- 352.10122659
Names & identifiers
- Preferred name
- Hexythiazox
- IUPAC
- (4S,5S)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
- English name
- Hexythiazox
- Molecular formula
- C17H21ClN2O2S
- Molecular weight
- 352.88
Names & synonyms
Database identifiers
- CAS
78587-05-0- PubChem CID
- 13218777
- DTXSID
DTXSID7024299- ChEMBL
CHEMBL1079786、CHEMBL1904578- ChEBI
CHEBI:39328- UNII
- 9A1P1MCC1L
- EC Number
- 616-638-3
- Nikkaji
- J239.719F
Properties
Physicochemical properties
- Melting point
- 108 · 108-108.5°C
- Boiling point
- 128 °C · 128°C (rough estimate)
- Density
- 1.1354 · 1.1354 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- Flash point
- 100 °C · 100 °C
- storage temp.
- 0 · 0-6°C
- Water Solubility
- Insoluble in water
- solubility
- 5 mg/ml,DMF:PBS · DMF: 5 mg/ml,DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml,DMSO: 2 mg/ml,Ethanol: 0.2 mg/ml
- form
- Solid
- pka
- 12.77 · 12.77±0.20(Predicted)
- color
- White to Almost white
- BRN
- 9001643 · 9001643
- Henry's Law Constant
- 4.2 · 4.2×102 mol/(m3Pa) at 25℃, HSDB (2015)
- Major Application
- agricultureenvironmental
- InChI
- InChI=1/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+/s3
- InChIKey
- XGWIJUOSCAQSSV-ICMWTWRANA-N
- SMILES
- S1[C@H](C2=CC=C(Cl)C=C2)[C@@H](C)N(C(NC2CCCCC2)=O)C1=O |&1:1,9,r|
- CAS DataBase Reference
- 78587 · 78587-05-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 A1P1MCC1L · 9A1P1MCC1L
- EPA Substance Registry System
- Hexythiazox (78587-05-0)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 332 · H332-H410
- Precautionary statements
- 261 · P261-P271-P273-P304+P340+P312-P391-P501
- PPE
- Eyeshields, Faceshields, Gloves
- Hazard Codes
- N
- Risk Statements
- 50 · 50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 3077 · UN 3077
- WGK Germany
- 2 · 2
- RTECS
- 5396000 · XJ5396000
- HS Code
- 29341000 · 29341000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
- Hazardous Substances Data
- 78587 · 78587-05-0(Hazardous Substances Data)
- Toxicity
- 50 in · LD50 in male, female mice, male, female rats (mg/kg): all >5000 orally; all >5000 dermally (Nippon Soda Co.)
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 2
- rtecs
- XJ5396000
- ridadr
- UN 3077
- hs_code
- 29341000
- Toxicity
- LD50 in male, female mice, male, female rats (mg/kg): all >5000 orally; all >5000 dermally (Nippon Soda Co.)
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H332-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P261-P271-P273-P304+P340+P312-P391-P501
- Hazardous Substances Data
- 78587-05-0(Hazardous Substances Data)
Chemistry & industry
Applications
UsesIt belongs to thiazolidone acaricide. This product has broad insecticidal spectrum and high acaricidal activities on spider mite, mocking mite, and panonychus citri. It has good effects in the use of low concentrations and better residual effects. It has no cross resistance problems with organophosphorus, dicofol and so on. It is safe for crops and beneficial insects feeding on mites with main contact effects. It has good penetration to the epidermis of plants, poor effect on adults but no inner-absorption conduction. It has a strong killing effect on many kinds of plant mites with the characteristics of killing young nymphs, but it is ineffective against adult mites. The eggs produced by female mites exposed to liquid medicine are inhibited. The effect is slow, but the residual effect can last as long as more than one month. Like the prevention and treatment of apple red spiders, during full incidence period of young nymphs, if there are 3 to 4 mites per leaf on average, 5 % EC or 5 % WP can be sprayed in 1500~2000 times. Stop using it at least 7 days before the harvest.
DescriptionHexythiazox is an acaricide that induces toxicity in larvae of the two-spotted spider mite T. urticae and the European red mite P. ulmi (LC50s = 0.15-0.58 and 0.23-0.62 mg AI/L, respectively), as well as in the summer and winter eggs of P. ulmi (LC50s = 2.2 and 20 ppm, respectively). Hexythiazox is toxic to bluegill (L. macrochirus; LC50 = 3.2 mg/L) and D. magna (EC50 = 0.36 mg/L) but not rats (LD50 = >5,000 mg/kg). Formulations containing hexythiazox have been used in the control of mites in agriculture.
UsesHexythiazox is a mite growth regulator and a thiazolidine based acaricide that has long-lasting effects against many kinds of mites and is applied at any stage of the plant growth from budding to frui ting.
UsesNonsystemic acaricide.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Additional notes
DefinitionChEBI: (S,S)-hexythiazox is a hexythiazox.
Related reactions
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