Basic information
- CAS
67590-61-8- Standard SMILES
CCC12CN(C)P(=S)(N(C)C1)N(C)C2- InChIKey
CCERXMJIBPBFLH-UHFFFAOYSA-N- Molecular formula
- C9H20N3PS
- Average molar mass
- 233.32 g/mol
- Monoisotopic mass
- 233.11155582
Names & identifiers
- Preferred name
- 2,6,7-Triaza-1-phosphabicyclo(2.2.2)octane, 4-ethyl-2,6,7-trimethyl-, 1-sulfide
- IUPAC
- 4-ethyl-2,6,7-trimethyl-1-sulfanylidene-2,6,7-triaza-1λ5-phosphabicyclo[2.2.2]octane
- English name
- 4-Ethyl-2,6,7-trimethyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octane1-sulfide
- Molecular formula
- C9H20N3PS
- Molecular weight
- 233.31
Names & synonyms
2,6,7-Triaza-1-phosphabicyclo(2.2.2)octane, 4-ethyl-2,6,7-trimethyl-, 1-sulfide4-Ethyl-2,6,7-trimethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane, 1-sulfide67590-61-8DTXSID60217915RefChem:247866DTXCID101404064-Ethyl-2,6,7-trimethyl-2,6,7-triaza-1lambda~5~-phosphabicyclo[2.2.2]octane-1-thione4-Ethyl-2,6,7-trimethyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octane1-sulfide2,6,7-Triaza-1-phosphabicyclo[2.2.2]octane, 4-ethyl-2,6,7-trimethyl-, 1-sulfide
Database identifiers
- CAS
67590-61-8- PubChem CID
- 3051642
- DTXSID
DTXSID60217915- Nikkaji
- J85.106J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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