Methyl thioglycolate (2365-48-2)

With the cas registry number 2365-48-2, methylmercaptoacetate is a kind of clear colourless liquid. Its IUPAC name is methyl 2-sulfanylacetate and the systematic name is methyl sulfanylacetate. This chemical is sensitive to air and is insoluble in water while soluble in carbinol, alcohol and benzene and other organic solvent. As to its usage, it is the raw material of phytocide Thifensulfuron Methyl and it could be often used as the pharmaceutic intermediate.

The physical properties of this chemical are as follows: (1)(1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.84; (6)ACD/BCF (pH 7.4): 1.6; (7)ACD/KOC (pH 5.5): 53.8; (8)ACD/KOC (pH 7.4): 46.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.6; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 25.61 cm³; (15)Molar Volume: 95.5 cm³; (16)Polarizability: 10.15 ×10^-24 cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 35 °C; (20)Enthalpy of Vaporization: 38.88 kJ/mol; (21)Boiling Point: 151.9 °C at 760 mmHg; (22)Vapour Pressure: 3.58 mmHg at 25°C; (23)Exact Mass: 106.00885; (24)MonoIsotopic Mass: 106.00885; (25)Topological Polar Surface Area: 27.3; (26)Heavy Atom Count: 6; (27)Formal Charge: 0; (28)Complexity: 52.8.

Use of this chemical: methylmercaptoacetate could react with formaldehyde to produce chloromethylsulfanyl-acetic acid methyl ester, with the following condition: reagent: hydrogen chloride; reaction temp.: 0 °C.

When you are dealing with this kind of chemical, you should be much more careful and then take some measures to protect yourself. For one thing, it is harmful which may cause damage to health. And it is irritating to eyes, respiratory system and skin. If by inhalation or swallowed, it will be very dangerous. For another thing, it is toxic which may at low levels cause damage to health. Therefore, you should firstly wear suitable protective clothing, gloves and eye/face protection. And then take some instructions while meeting with the following conditions. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell, seek medical advice immediately (show label where possible); After contacting with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC(=O)CS
(2)InChI: InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3
(3)InChIKey: MKIJJIMOAABWGF-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

With the cas registry number 2365-48-2, methylmercaptoacetate is a kind of clear colourless liquid. Its IUPAC name is methyl 2-sulfanylacetate and the systematic name is methyl sulfanylacetate. This chemical is sensitive to air and is insoluble in water while soluble in carbinol, alcohol and benzene and other organic solvent. As to its usage, it is the raw material of phytocide Thifensulfuron Methyl and it could be often used as the pharmaceutic intermediate.

The physical properties of this chemical are as follows: (1)(1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.84; (6)ACD/BCF (pH 7.4): 1.6; (7)ACD/KOC (pH 5.5): 53.8; (8)ACD/KOC (pH 7.4): 46.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.6; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 25.61 cm³; (15)Molar Volume: 95.5 cm³; (16)Polarizability: 10.15 ×10^-24 cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 35 °C; (20)Enthalpy of Vaporization: 38.88 kJ/mol; (21)Boiling Point: 151.9 °C at 760 mmHg; (22)Vapour Pressure: 3.58 mmHg at 25°C; (23)Exact Mass: 106.00885; (24)MonoIsotopic Mass: 106.00885; (25)Topological Polar Surface Area: 27.3; (26)Heavy Atom Count: 6; (27)Formal Charge: 0; (28)Complexity: 52.8.

Use of this chemical: methylmercaptoacetate could react with formaldehyde to produce chloromethylsulfanyl-acetic acid methyl ester, with the following condition: reagent: hydrogen chloride; reaction temp.: 0 °C.

When you are dealing with this kind of chemical, you should be much more careful and then take some measures to protect yourself. For one thing, it is harmful which may cause damage to health. And it is irritating to eyes, respiratory system and skin. If by inhalation or swallowed, it will be very dangerous. For another thing, it is toxic which may at low levels cause damage to health. Therefore, you should firstly wear suitable protective clothing, gloves and eye/face protection. And then take some instructions while meeting with the following conditions. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell, seek medical advice immediately (show label where possible); After contacting with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC(=O)CS
(2)InChI: InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3
(3)InChIKey: MKIJJIMOAABWGF-UHFFFAOYSA-N 

Below are the toxicity information of this chemical: