Thiometon sulfoxide
Basic information
- CAS
2703-37-9- Standard SMILES
CCS(=O)CCSP(=S)(OC)OC- InChIKey
UILALIJMTSYZSE-UHFFFAOYSA-N- Molecular formula
- C6H15O3PS3
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 261.99209485
Names & identifiers
- Preferred name
- Thiometon sulfoxide
- IUPAC
- 2-ethylsulfinylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
- English name
- thiometon-sulfoxide
- Molecular formula
- C6H15O3PS3
- Molecular weight
- 262.35
Names & synonyms
Thiometon sulfoxide2703-37-9Bayer 23453UNII-BN553M4R6YENT 24,689BRN 1711272BN553M4R6YAI3-24689O,O-Dimethyl S-(2-ethylsulfinyl)ethyl dithiophosphateTHIOMETON SULPHOXIDEPhosphorodithioic acid, O,O-dimethyl S-(2-ethylsulfinyl)ethyl ester4-01-00-02464 (Beilstein Handbook Reference)
Show more names
ENT-24689Bayer-23453OxythiometonIntrathion sulfoxideS-[2-(ethylsulphinyl)ethyl] O,O-dimethyl phosphorodithioateDithiophosphoric acid O,O-dimethyl S-[2-(ethylsulfinyl)ethyl] esterPhosphorodithioic acid S-[2-(ethylsulfinyl)ethyl]O,O-dimethyl ester2-ethylsulfinylethylsulfanyl-dimethoxy-sulfanylidene-λsup5sup-phosphane
Phosphorodithioic acid, S-(2-(ethylsulfinyl)ethyl) O,O-dimethyl esterRefChem:189564thiometon-sulfoxide2-Ethylsulfinylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphaneO,O-dimethyl {[2-(ethanesulfinyl)ethyl]sulfanyl}phosphonothioateDTXSID20871875S-(2-(Ethylsulfinyl)ethyl) O,O-dimethyl phosphorodithioateUILALIJMTSYZSE-UHFFFAOYSA-N
Database identifiers
- CAS
2703-37-9- PubChem CID
- 75917
- DTXSID
DTXSID20871875- UNII
- BN553M4R6Y
- EC Number
- 620-370-2
- Nikkaji
- J14.331F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 384.3 · 384.3±44.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Air Sensitive
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 553 M4R6Y · BN553M4R6Y
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 300 · H300-H310-H330-H411
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
- Hazard Codes
- T+,N
- Risk Statements
- 26 · 26/27/28-51/53
- Safety Statements
- 13 · 13-28-45-61
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
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute Tox. 2 (100%)
Acute toxicity (inhalation) - category 2
Acute Tox. 1
Safety data
- risk_code
- 26/27/28-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T+,N
- safety_code
- 13-28-45-61
- Hazard statements
- H300-H310-H330-H411
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Chemistry & industry
Applications
UsesThiometon Sulfoxide is a metabolite from Thiometon (D231370) pesticides, used as an insecticide. Cholinesterase inhibitor.
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Compound notes
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