Mercaptodimethur

EPA Extremely Hazardous Substances List.

The Mercaptodimethur, with the CAS registry number 92517-02-7, is also known as Methylcarbamic acid 4-(methylthio)-3,5-xylyl ester. It belongs to the product categories of MEA - MES Pesticides & Metabolites; Alpha sort; H-M Alphabetic; M; Others; Pesticides; Pesticides & Metabolites. Its EINECS number is 217-991-2. This chemical's molecular formula is C₁₁H₁₅NO₂S and molecular weight is 225.31. What's more, its systematic name is 3,5-Dimethyl-4-(methylsulfanyl)phenyl methylcarbamate. Its classification codes are: (1)Acaricide; (2)Agricultural Chemical; (3)Avicide; (4)Insecticide; (5)Insecticides; (6)Molluscacides; (7)Molluscicide; (8)Pesticides. This chemical should be sealed and stored in a cool, ventilated and dry place. It is used as an insecticide and immobilizing agent for birds, acaricide and molluscicide.

Physical properties of Mercaptodimethur are: (1)ACD/LogP: 3.086; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 130.44; (6)ACD/BCF (pH 7.4): 130.44; (7)ACD/KOC (pH 5.5): 1137.17; (8)ACD/KOC (pH 7.4): 1137.16; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.63 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 63.402 cm³; (15)Molar Volume: 196.098 cm³; (16)Polarizability: 25.134×10^-24cm³; (17)Surface Tension: 43.88 dyne/cm; (18)Density: 1.149 g/cm³; (19)Flash Point: 141.681 °C; (20)Enthalpy of Vaporization: 55.151 kJ/mol; (21)Boiling Point: 310.657 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed, and it is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You should not breathe dust. When using it, you need wear suitable protective gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. You must avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1cc(c(SC)c(c1)C)C)NC
(2)Std. InChI: InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
(3)Std. InChIKey: YFBPRJGDJKVWAH-UHFFFAOYSA-N

The toxicity data is as follows: