S-(4-Amino-3,5,8-trioxa-4-phosphadecan-10-yl) O,O-diethyl phosphorothioate
Basic information
- CAS
23497-20-3- Standard SMILES
CCOP(N)OCCOCCSP(=O)(OCC)OCC- InChIKey
KEMCHRRJMJYQPW-UHFFFAOYSA-N- Molecular formula
- C10H25NO6P2S
- Average molar mass
- 349.32 g/mol
- Monoisotopic mass
- 349.08778269
Names & identifiers
- Preferred name
- S-(4-Amino-3,5,8-trioxa-4-phosphadecan-10-yl) O,O-diethyl phosphorothioate
- IUPAC
- 1-[amino(ethoxy)phosphanyl]oxy-2-(2-diethoxyphosphorylsulfanylethoxy)ethane
- English name
- Phosphorothioic acid S-[2-(diethoxyphosphinylamino)ethyl]O,O-diethyl ester
- Molecular formula
- C10H25NO6P2S
- Molecular weight
- 349.32
Names & synonyms
23497-20-3s-(4-amino-3,5,8-trioxa-4-phosphadecan-10-yl) o,o-diethyl phosphorothioateDTXSID90946180RefChem:1098225DTXCID301374471BRN 2147341O,O-Diethyl S-(O,O-diethylphosphoramido)ethyl phosphorothioatePhosphorothioic acid, O,O-diethyl S-(O,O-diethylphosphoramido)ethyl esterPhosphorothioic acid S-[2-(diethoxyphosphinylamino)ethyl]O,O-diethyl esterPhosphoramidic acid, (2-mercaptoethyl)-, diethyl ester, S-ester with O,O-diethyl phosphorothioate (8CI)
Database identifiers
- CAS
23497-20-3- PubChem CID
- 90126
- DTXSID
DTXSID90946180
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 396.2 · 396.2±52.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- -0.01 · -0.01±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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