(1Z)-2-[(Dimethoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid

Basic Information

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CAS Number

60-51-5

Molecular Formula

C5H12NO3PS2

Molecular Weight

229.26 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

52-52.5 ºC

Boiling Point

107 ºC (0.05 torr)

Density

1.281

Refractive Index

nD65 1.5334

SMILES

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C/N=C(/CSP(=S)(OC)OC)\O

InChI

InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

InChIKey

MCWXGJITAZMZEV-UHFFFAOYSA-N

LogP

1.8232

Topological Polar Surface Area

51.05 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

191

Safety Information

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GHS Hazard Pictograms

H225

H302

H312

H319

H332

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

photosensitive

Toxicity

LD50 orally in rats: 250 mg/kg (Schafer)

Synonyms & References

English

dimethoate
O,O-dimethyl methylcarbamoylmethyl phosphorodithioate
Dimethoate in acetone
Additions to Method 8140
Dimethoate solution
Method 8270B - Organophosphorous Pesticide Mix
2-dimethoxyphosphinothioylthio-N-methylacetamide
Aadimethoal
BI 58
CHAMP
CYGON
FIP
L 395
Lurgo
O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorodithioate
O,O-dimethyl S-methylcarbamoylmethyl phosphorodithioate
O,O-Dimethyl S-methylcarbomoylmethyl phosphorodithioate
oms94
phosphamide
ROGOR
Tara
O,O-Dimethyl S-(N-methylcarbamoylmethyl) phosphorodithioate
Phosphorodithioic acid O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester
Def
Defend
Fosfamid
Perfekthion
Rebelate
Roxion
O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate
Cygon

MDL Number

MFCD00053676

Customs Code

2930909063

FAQ

What are the physical and chemical properties of (1Z)-2-[(Dimethoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid (CAS: 60-51-5)?

(1Z)-2-[(Dimethoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid (CAS: 60-51-5) is a white crystalline solid with a molecular weight of approximately 296.27 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is highly reactive, particularly towards nucleophiles. It is used in the synthesis of various phosphorothioates and as a reagent in organic chemistry.

How is (1Z)-2-[(Dimethoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid (CAS: 60-51-5) typically synthesized?

This compound is typically synthesized via the reaction of dimethoxyphosphorodithioic acid with ethanamine. The method involves the nucleophilic substitution of ethanamine on the phosphorus atom, followed by methylation to form the N-methyl derivative. The reaction is generally carried out in polar aprotic solvents under ambient conditions.

What industries use (1Z)-2-[(Dimethoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid (CAS: 60-51-5)?

This compound is primarily used in the pharmaceutical industry for the synthesis of phosphorothioate analogs of nucleotides and nucleic acids. It is also utilized in the semiconductor industry for specific applications requiring phosphorus-containing compounds. Additionally, it has potential applications in sensor technology.

What precautions should be taken when handling (1Z)-2-[(Dimethoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid (CAS: 60-51-5)?

When handling (1Z)-2-[(Dimethoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid (CAS: 60-51-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Handle in a well-ventilated area or a fume hood. Spills should be cleaned up immediately and handled according to the Material Safety Data Sheet (MSDS) guidelines. Ensure proper storage in a cool, dry place away from incompatible materials.