O-Methyl S-2-diisopropylaminoethyl ethylphosphonothiolate
Basic information
- CAS
162085-94-1- Standard SMILES
CCP(=O)(OC)SCCN(C(C)C)C(C)C- InChIKey
AVIWKFSOYDOCNU-UHFFFAOYSA-N- Molecular formula
- C11H26NO2PS
- Average molar mass
- 267.37 g/mol
- Monoisotopic mass
- 267.14218724
Names & identifiers
- Preferred name
- O-Methyl S-2-diisopropylaminoethyl ethylphosphonothiolate
- IUPAC
- N-[2-[ethyl(methoxy)phosphoryl]sulfanylethyl]-N-propan-2-ylpropan-2-amine
Names & synonyms
O-Methyl S-2-diisopropylaminoethyl ethylphosphonothiolateEthyl-phosphonothioic acid, S-(2-diisopropylamino-ethyl) O-methyl esterDTXSID601357010S-[2-(Diisopropylamino)ethyl] o-methyl ethylphosphonothioateS-[2-(Diisopropylamino)ethyl] o-methyl ethylphosphonothioate #Phosphonothioic acid, ethyl-, S-[2-[bis(1-methylethyl)amino]ethyl] O-methyl ester162085-94-1
Database identifiers
- CAS
162085-94-1- PubChem CID
- 519237
- DTXSID
DTXSID601357010- Nikkaji
- J2.804.803C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
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Compound notes
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