Basic information
- CAS
74229-41-7- Standard SMILES
O=C1COCC(=O)SCC(=O)NCCOCCOCCN1- InChIKey
DPJWDLVZFPXCSX-UHFFFAOYSA-N- Molecular formula
- C12H20N2O6S
- Average molar mass
- 320.36 g/mol
- Monoisotopic mass
- 320.10420754
Names & identifiers
- Preferred name
- 1,4,10-Trioxa-13-thia-7,16-diazacyclooctadecane-8,12,15-trione
- IUPAC
- 1,4,10-trioxa-13-thia-7,16-diazacyclooctadecane-8,12,15-trione
Names & synonyms
1,4,10-Trioxa-13-thia-7,16-diazacyclooctadecane-8,12,15-trione74229-41-7DTXSID20343229RefChem:219797DTXCID80294309DPJWDLVZFPXCSX-UHFFFAOYSA-N1,4,10-Trioxa-13-thia-7,16-diazacyclooctadecane-8,12,15-dione
Database identifiers
- CAS
74229-41-7- PubChem CID
- 588387
- DTXSID
DTXSID20343229
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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