Basic information
- CAS
63331-02-2- Standard SMILES
CCSC[Si]12OCCN(CCO1)CCO2- InChIKey
JMMUPWDOXRGHOT-UHFFFAOYSA-N- Molecular formula
- C9H19NO3SSi
- Average molar mass
- 249.4 g/mol
- Monoisotopic mass
- 249.08549118
Names & identifiers
- Preferred name
- 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
- IUPAC
- 1-(ethylsulfanylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Names & synonyms
63331-02-21-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane1-[(ethylsulfanyl)methyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(ethylthio)methyl]-JMMUPWDOXRGHOT-UHFFFAOYSA-N5-(ethylsulfanylmethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane1-(ethylthiomethyl)silatraneDTXSID103448661-(ethylsulfanylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecaneAG-690/13205179
Database identifiers
- CAS
63331-02-2- PubChem CID
- 600030
- DTXSID
DTXSID10344866- Nikkaji
- J1.119.878C
Properties
Computed structural properties
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…