Basic information
- CAS
93240-66-5- Standard SMILES
CCN(CC)CCSP(C)(=O)OC1CCCC1- InChIKey
PMVOUPZOZITGTQ-UHFFFAOYSA-N- Molecular formula
- C12H26NO2PS
- Average molar mass
- 279.38 g/mol
- Monoisotopic mass
- 279.14218724
Names & identifiers
- Preferred name
- Phosphonothioic acid, methyl-, S-(2-diethylaminoethyl) O-cyclopentyl ester
- IUPAC
- 2-[cyclopentyloxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine
Names & synonyms
EA-3148NIOSH/TB1083000EA 3148TB10830000Phosphonothioic acid, methyl-, S-(2-diethylaminoethyl) O-cyclopentyl ester93240-66-5Cyclopentyl S-2-diethylaminoethyl methylphosphonothiolateSCHEMBL20798278DTXSID001020104cyclopentyl {[2-(diethylamino)ethyl]sulfanyl}(methyl)phosphinateMethylphosphonothioic acid, o-cyclopentyl ester S-[2-(diethylamino)ethyl] esterQ2613177
Show more names
o-Cyclopentyl S-[2-(diethylamino)ethyl] methylphosphonothioateo-Cyclopentyl S-[2-(diethylamino)ethyl] methylphosphonothioate #Phosphonothioic acid, methyl-, O-cyclopentyl S-[2-(diethylamino)ethyl] ester
Database identifiers
- CAS
93240-66-5- PubChem CID
- 559673
- DTXSID
DTXSID001020104- UNII
- HCH2YKB5LV
- Nikkaji
- J817.206D
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
- 17
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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