Basic information
- CAS
77508-99-7- Standard SMILES
CC1C(C)(C)P(=O)(SCc2ccccc2)C1(C)C- InChIKey
NEBWINFHBBUSOM-UHFFFAOYSA-N- Molecular formula
- C15H23OPS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.12072352
Names & identifiers
- Preferred name
- Phosphetane, 2,2,3,4,4-pentamethyl-1-[(phenylmethyl)thio]-, 1-oxide
- IUPAC
- 1-benzylsulfanyl-2,2,3,4,4-pentamethyl-1λ5-phosphetane 1-oxide
Names & synonyms
NSC23421777508-99-7Phosphetane, 2,2,3,4,4-pentamethyl-1-[(phenylmethyl)thio]-, 1-oxideDTXSID20310916NEBWINFHBBUSOM-UHFFFAOYSA-NNSC-2342171-(Benzylsulfanyl)-2,2,3,4,4-pentamethylphosphetane 1-oxide #Phosphetane,2,3,4,4-pentamethyl-1-[(phenylmethyl)thio]-, 1-oxide1-(Benzylsulfanyl)-2,2,3,4,4-pentamethyl-1lambda~5~-phosphetan-1-one
Database identifiers
- CAS
77508-99-7- PubChem CID
- 314730
- DTXSID
DTXSID20310916- Nikkaji
- J530.003G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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