S-(2-(Dimethylamino)ethyl) O-ethyl P-methylphosphonothioate
Basic information
- CAS
20820-80-8- Standard SMILES
CCOP(C)(=O)SCCN(C)C- InChIKey
PKDYQTANBZBIRM-UHFFFAOYSA-N- Molecular formula
- C7.H18.N.O2.P.S
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.07958699
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- S-(2-(Dimethylamino)ethyl) O-ethyl P-methylphosphonothioate
- IUPAC
- 2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
- English name
- O-ethyl S-(2-dimethylaminoethyl) methylphosphonothioate
- Molecular formula
- C7H18NO2PS
- Molecular weight
- 211.26
Names & synonyms
20820-80-8O-ethyl S-(2-dimethylaminoethyl) methylphosphonothioateDTXSID00864962Methylphosphonothioic acid, S-(2-(dimethylamino)ethyl) O-ethyl esterEDMMRefChem:931058methylethoxy(2-dimethylaminoethylthio)phosphine oxideDTXCID70813422methylthiophosphorous acid O-ethyl S-2-dimethylamianoethyl esterS-(2-(Dimethylamino)ethyl) O-ethyl P-methylphosphonothioateMedemoS-[2-(Dimethylamino)ethyl] o-ethyl methylphosphonothioate
Show more names
O-ETHYL-S-[2-(DIETHYLAMINO)ETHYL]METHYLPHOSPHONOTHIOATEPhosphonothioic acid, P-methyl-, S-[2-(dimethylamino)ethyl] O-ethyl ester
O-Ethyl S-2-dimethylaminoethyl methylphosphonothiolate25 SN33 SNBRN 1769425ZW9J8DK4QMO-Ethyl-S-(2-dimethylaminoethyl)-methylphosphonothioateSCHEMBL29394016O-Aethyl-S-(2-dimethylaminoaethyl)-methylphosphonothioat [German]
Database identifiers
- CAS
20820-80-8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 116 °C · 116 °C(Press: 2.5 Torr)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 8.63 · 8.63±0.28(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety & protection
Protective Action Criteria (PAC)
0.00037 [mg/m3]
0.004 [mg/m3]
0.024 [mg/m3]
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Related reactions
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Compound notes
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