Basic information
- CAS
67590-59-4- Standard SMILES
CCC12COP(=S)(OC1)N(C)C2- InChIKey
VYFIMAAMUSMREV-UHFFFAOYSA-N- Molecular formula
- C7H14NO2PS
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.04828686
Names & identifiers
- Preferred name
- 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide
- IUPAC
- 4-ethyl-7-methyl-1-sulfanylidene-2,6-dioxa-7-aza-1λ5-phosphabicyclo[2.2.2]octane
- English name
- 4-Ethyl-7-methyl-7-aza-2,6-dioxa-1-phosphabicyclo[2.2.2]octane1-sulfide
- Molecular formula
- C7H14NO2PS
- Molecular weight
- 207.23
Names & synonyms
BRN 22605612-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide67590-59-4DTXSID402179134-Ethyl-7-methyl-7-aza-2,6-dioxa-1-phosphabicyclo(2.2.2)octane, 1-sulfideRefChem:256116DTXCID901404044-Ethyl-7-methyl-2,6-dioxa-7-aza-1lambda~5~-phosphabicyclo[2.2.2]octane-1-thione4-Ethyl-7-methyl-7-aza-2,6-dioxa-1-phosphabicyclo[2.2.2]octane1-sulfide2,6-Dioxa-7-aza-1-phosphabicyclo[2.2.2]octane, 4-ethyl-7-methyl-, 1-sulfide
Database identifiers
- CAS
67590-59-4- PubChem CID
- 3051640
- DTXSID
DTXSID40217913- Nikkaji
- J84.620A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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