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Demeton-S-methylsulfone

Demeton-S-methylsulfone structure

CAS No:
17040-19-6
Formula:
C6H15O5PS2
Chemical Name:
Demeton-S-methylsulfone
Synonyms:
Phosphorothioic acid,S-[2-(ethylsulfonyl)ethyl] O,O-dimethyl ester;Ethanethiol,2-(ethylsulfonyl)-,S-ester with O,O-dimethyl phosphorothioate;Demeton-S-methyl sulfone;Metasystox i sulfone;O,O-Dimethyl S-2-(ethylsulfonyl)ethyl phosphorothioate;Oxydemetonmethyl sulfone;S-[2-(Ethylsulfonyl)ethyl] O,O-dimethyl phosphorothioate;O,O-Dimethyl S-[2-(ethylsulfonyl)ethyl]thiophosphate;O,O-Dimethyl S-[2-(ethylsulfonyl)ethyl] monothiophosphate;Demeton-S-methylsulfone;Metasystox R sulfone
Categories:
Agrochemicals > Insecticides

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Description

Demeton-S-methylsulphon is a sulfone.

Demeton-S-methylsulfone Basic Attributes

Molecular Weight：

262.28

Exact Mass：

262.28

EC Number：

241-109-5

UNII：

RSO143122K

DSSTox ID：

DTXSID4037582

HScode：

29159000

Characteristics

PSA：

103

XLogP3：

-0.11

Density：

1.315±0.06 g/cm3(Predicted)

Melting Point：

52 °C

Boiling Point：

115 °C @ Press: 0.01 Torr

Flash Point：

191.8±28.4 °C

Refractive Index：

1.482

Water Solubility：

H2O: soluble (63 g/L) (25 ºC)

Storage Conditions：

0-6°C

Vapor Pressure：

4.79E-06mmHg at 25°C

Toxicity：

Oral-rat LD50: 32.4 mg/kg; Oral-Mouse LD50: 30 mg/kg

Flammability characteristics：

Open flame is flammable; heat releases toxic sulfur oxide and phosphorus oxide gas

Collision Cross Section：

143.66 Å² [M+H]+ [CCS Type: TW]|142.87 Å² [M+H]+

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

2783

wgk germany：

hazard class code：

21-25-51/53-26

safety instructions：

22-28-36/37-45-61

RTECS Number：

TF9050000

Marks：

T,N,T+

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

P260-P264-P273-P280-P284-P301 + P310

Hazard Statements：

H300 + H330-H311-H411

GHS Classification：

|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P280, P301+P310, P302+P352, P312, P321, P322, P330, P363, P391, P405, and P501|H300 (92.68%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

most toxic

Demeton-S-methylsulfone Use and Manufacturing

A metabolite of Demeton-S-methyl (D231370). An organophosphorus pesticide biomarker.

Computed Properties

Molecular Weight:262.3
XLogP3:-0.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:262.00985292
Monoisotopic Mass:262.00985292
Topological Polar Surface Area:103
Heavy Atom Count:14
Complexity:286
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes