2,6,7-Triaza-1-phosphabicyclo(2.2.2)octane, 4-ethyl-2-methyl-, 1-sulfide
Basic information
- CAS
85473-44-5- Standard SMILES
CCC12CNP(=S)(NC1)N(C)C2- InChIKey
DRMAXVASZJOCBR-UHFFFAOYSA-N- Molecular formula
- C7H16N3PS
- Average molar mass
- 205.26 g/mol
- Monoisotopic mass
- 205.08025569
Names & identifiers
- Preferred name
- 2,6,7-Triaza-1-phosphabicyclo(2.2.2)octane, 4-ethyl-2-methyl-, 1-sulfide
- IUPAC
- 4-ethyl-2-methyl-1-sulfanylidene-2,6,7-triaza-1λ5-phosphabicyclo[2.2.2]octane
Names & synonyms
85473-44-52,6,7-Triaza-1-phosphabicyclo(2.2.2)octane, 4-ethyl-2-methyl-, 1-sulfideDTXSID6010060274-Ethyl-2-methyl-2,6,7-triaza-1lambda~5~-phosphabicyclo[2.2.2]octane-1-thione
Database identifiers
- CAS
85473-44-5- PubChem CID
- 187451
- DTXSID
DTXSID601006027
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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