Basic information
- CAS
3147-20-4- Standard SMILES
CCOP(=O)(OCC)SCCN(C)C- InChIKey
GRPHSFSJUDRMKP-UHFFFAOYSA-N- Molecular formula
- C8H20NO3PS
- Average molar mass
- 241.29 g/mol
- Monoisotopic mass
- 241.09015167
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- S-(2-(Dimethylamino)ethyl) O,O-diethyl phosphorothioate
- IUPAC
- 2-diethoxyphosphorylsulfanyl-N,N-dimethylethanamine
- English name
- THIOPHOSPHORIC ACID O,O'-DIETHYL ESTER-S-(2-DIMETHYLAMINO-ETHYL ESTER)
- Molecular formula
- C8H20NO3PS
- Molecular weight
- 241.29
Names & synonyms
3147-20-4O,O-diethyl S-(2-dimethylaminoethyl) phosphorothioateDTXSID10953477Phosphorothioic acid, S-[2-(dimethylamino)ethyl] O,O-diethyl esters-[2-(dimethylamino)ethyl] o,o-diethyl phosphorothioatephosphorothioic acid, S-(2-(dimethylamino)ethyl) O,O-diethyl esterS-(2-(Dimethylamino)ethyl) O,O-diethyl phosphorothioateRefChem:931057DTXCID8013815282-diethoxyphosphorylsulfanyl-N,N-dimethylethanamineCHEMBL3277096217AO
Show more names
Phosphorothioic acid, S-(2-(dimethylamino)ethyl) o,o-diethyl ester, ethanedioate (1:1)
THIOPHOSPHORIC ACID O,O'-DIETHYL ESTER-S-(2-DIMETHYLAMINO-ETHYL ESTER)BRN 1780326S-(2-(N,N-Dimethylamino)ethyl)O,O-diethyl phosphorothiolateSCHEMBL16974121Phosphorothioic acid, O,O-diethyl S-(2-dimethylaminoethyl) esterBDBM50016939AKOS0159676452-diethoxyphosphinylthioethyldimethylamine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 0.225 Torr)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 8.43 · 8.43±0.28(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
南通惠创化学品有限公司13776905367; 13776905367 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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