Basic information
- CAS
115-93-5- Standard SMILES
COP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1- InChIKey
BSBSDQUZDZXGFN-UHFFFAOYSA-N- Molecular formula
- C8H12NO5PS2
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 296.98945183
Overview
Cythioate is a member of the organothiophosphate compounds that is used as an insecticide and anthelmintic. It is mainly used in veterinary as a treatment for fleas.
Names & identifiers
- Preferred name
- Cythioate
- IUPAC
- 4-dimethoxyphosphinothioyloxybenzenesulfonamide
- English name
- Cythioate
- Molecular formula
- C8H12NO5PS2
- Molecular weight
- 297.29
Names & synonyms
CYTHIOATE115-93-5ProbanCyfleeDTXSID8041828O,O-Dimethyl O-4-sulfamoylphenyl phosphorothioateNSC-310287O-(4-(Aminosulfonyl)phenyl) O,O-dimethyl phosphorothioate3OOH7Q4333O,O-Dimethyl-O-(p-sulfamoylphenyl)-phosphorothioateDTXCID6021828Phosphorothioic acid, O-(4-(aminosulfonyl)phenyl) O,O-dimethyl ester
Show more names
CL 26691CYFLEE(R)PROBAN(R)ent25,640ENT 25,640NSC 310287BRN 2148114americancl-26691
Phosphorothioic acid, O-[4-(aminosulfonyl)phenyl] O,O-dimethyl esterProban TabletsProban Oral LiquidRefChem:58022Proban Cythioate Tablets 30 mgO,O-Dimethyl O-(4-sulphamoylphenyl) phosphorothioate204-115-9American CL-26691
Database identifiers
- CAS
115-93-5- PubChem CID
- 8293
- DTXSID
DTXSID8041828
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Animal DrugsFDA approved animal drugs -> Active ingredient
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 70 · 70-71°
- Boiling point
- 407.7 · 407.7±55.0 °C(Predicted)
- Density
- 1.459 · 1.459±0.06 g/cm3(Predicted)
- refractive index
- 25 · nD25 1.5346
- storage temp.
- 2 · 2-8°C
- form
- Crystalline
- pka
- 10.04 · 10.04±0.10(Predicted)
- BRN
- 2148114 · 2148114
- Major Application
- agricultureenvironmental
- InChI
- 1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCythioate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Phosphorothioic acid, O-[4-(aminosulfonyl)phenyl] O,O-dimethyl ester: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2783
- hs_code
- 29350090
- Toxicity
- LD50 orally in rats: 160 mg/kg (Kenaga, Allison)
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Pharmacology
ATC Code
QP - Antiparasitic products, insecticides and repellents
QP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationPesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
Uses & manufacturing
General Manufacturing InformationPhosphorothioic acid, O-[4-(aminosulfonyl)phenyl] O,O-dimethyl ester: INACTIVE
Applications
DescriptionCythioate is a member of the organothiophosphate compounds that is used as an insecticide and anthelmintic. It has been sold under the trade names Cyflee and Proban, under which form it has been used for veterinary purposes against fleas.
UsesCythioate is used as pesticide.
Suppliers22 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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