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| CAS No.: | 115-93-5 |
|---|---|
| Name: | Cythioate |
| Molecular Structure: | |
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| Formula: | C8H12 N O5 P S2 |
| Molecular Weight: | 297.293 |
| Synonyms: | Cythioate;ENT 25640;NSC 310287;O,O-DimethylO-(4-sulfamoylphenyl) phosphorothioate;O,O-Dimethyl O-(p-sulfamoylphenyl)phosphorothioate;Proban;Proban (pesticide);Phosphorothioicacid, O,O-dimethyl O-p-sulfamoylphenyl ester (6CI);Phosphorothioic acid,O,O-dimethyl ester, O-ester with p-hydroxybenzenesulfonamide (7CI,8CI);Benzenesulfonamide, p-hydroxy-, O-ester with O,O-dimethyl phosphorothioate(8CI);CL 26691;Cyflee; |
| EINECS: | 204-115-9 |
| Density: | 1.459 g/cm3 |
| Melting Point: | 70-71° |
| Boiling Point: | 407.7 ºCat 760 mmHg |
| Flash Point: | 200.3 ºC |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | Poison by ingestion. An insecticide. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx. |
| PSA: | 138.13000 |
| LogP: | 3.66180 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Cythioate, with the CAS registry number 115-93-5, is also known as O,O-Dimethyl O-[4-(aminosulfonyl)phenyl]thiophosphate. It belongs to the product categories of Organic matters.This chemical's molecular formula is C8H12NO5PS2 and molecular weight is 297.29.Its EINECS number is 204-115-9. What's more,Its systematic name is O,O-Dimethyl O-(4-sulphamoylphenyl) thiophosphate .It is an insecticide ,Poison by ingestion.When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx.Its safety Information is: RIDADR 2783; HazardClass 6.1(b); PackingGroup III.
Physical properties about Cythioate are:
(1)ACD/LogP: 0.986; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.31; (6)ACD/BCF (pH 7.4): 3.30; (7)ACD/KOC (pH 5.5): 81.93; (8)ACD/KOC (pH 7.4): 81.75; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 67.408 cm3; (14)Molar Volume: 203.631 cm3; (15)Surface Tension: 59.351001739502 dyne/cm; (16)Density: 1.46 g/cm3; (17)Flash Point: 200.346 °C; (18)Enthalpy of Vaporization: 65.958 kJ/mol; (19)Boiling Point: 407.661 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:S=P(Oc1ccc(cc1)S(=O)(=O)N)(OC)OC;
(2)Std. InChI: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);
(3)Std. InChIKey:BSBSDQUZDZXGFN-UHFFFAOYSA-N.
The toxicity data of Cythioate as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 38mg/kg (38mg/kg) | Bulletin of the Entomological Society of America. Vol. 15, Pg. 116, 1969. | |
| rabbit | LD50 | skin | > 2500mg/kg (2500mg/kg) | Pesticide Manual. Vol. 9, Pg. 300, 1991. | |
| rat | LD50 | oral | 160mg/kg (160mg/kg) | Pesticide Manual. Vol. 9, Pg. 300, 1991. |