Methyl phosphorodithioate
Basic information
- CAS
2953-29-9- Standard SMILES
COP(=S)(OC)SC- InChIKey
ILDHFYGNYDICFB-UHFFFAOYSA-N- Molecular formula
- C3H9O2PS2
- Average molar mass
- 172.2 g/mol
- Monoisotopic mass
- 171.97815887
Names & identifiers
- Preferred name
- Methyl phosphorodithioate
- IUPAC
- dimethoxy-methylsulfanyl-sulfanylidene-λ5-phosphane
- English name
- O,O,S-Trimethyldithiophosphate
- Molecular formula
- C3H9O2PS2
- Molecular weight
- 172.21
Names & synonyms
2953-29-9O,O,S-Trimethyl dithiophosphatePHOSPHORODITHIOIC ACID, O,O,S-TRIMETHYL ESTERO,O,S-Trimethyl phosphorodithioateO,O,S-TrimethylphosphorodithioateO,O,S-Trimethylphosphorodithionate8OW97X1U88DTXSID2042226OOSMeSOOS-MeP(S)RefChem:167041DTXCID0022226
Show more names
o,o,s-trimethylDimethoate Impurity 2o,o,s-trimethylphosphorodithiateC17881500 O,O,S-Trimethyldithiophosphatedimethoxy-(methylthio)-thioxo-phosphoranephosphorodithioicacid,o,o,s-trimethylestero,o,s-trimethylphosphorodithiate(asimpurity)
Methyl phosphorodithioateO,O,S-TRIMETHYLDITHIOPHOSPHATEO,O-dimethyl (methylsulfanyl)phosphonothioateO,O,S- Trimethyl dithiophosphateDimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphaneBRN 1702943UNII-8OW97X1U88AI3-27482
Database identifiers
- CAS
2953-29-9- PubChem CID
- 18065
- DTXSID
DTXSID2042226- UNII
- 8OW97X1U88
- EC Number
- 608-373-7
- Nikkaji
- J50.444K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 97.5
Experimental & physicochemical properties
SpringerMaterials Properties31P nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 103 °C · 103 °C(Press: 14 Torr)
- Density
- 1.2587 g/cm3 · 1.2587 g/cm3(Temp: 0 °C)
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Oil
- color
- Colourless
- FDA UNII
- 8 OW97X1U88 · 8OW97X1U88
- EPA Substance Registry System
- O,O,S- Trimethyl dithiophosphate (2953-29-9)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H332-H319-H301-H312-H411-H315
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- 3018
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS06
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H335-H332-H319-H301-H312-H411-H315
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesO,O,S-Trimethyl Dithiophosphate is a metabolite resulting from the degradation of Dimethoate (D460505), isolated from treatment wastewater.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
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Compound notes
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