Ethanethioamide;1,4,7,10,13,16-hexaoxacyclooctadecane
Basic information
- CAS
74261-16-8- Standard SMILES
C1COCCOCCOCCOCCOCCO1.CC(N)=S.CC(N)=S- InChIKey
QHIOIXANTIHMGB-UHFFFAOYSA-N- Molecular formula
- C16H34N2O6S2
- Average molar mass
- 414.6 g/mol
- Monoisotopic mass
- 414.18582916
Names & identifiers
- Preferred name
- Ethanethioamide;1,4,7,10,13,16-hexaoxacyclooctadecane
- IUPAC
- ethanethioamide;1,4,7,10,13,16-hexaoxacyclooctadecane
Names & synonyms
74261-16-8DTXSID60225272Ethanethioamide--1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)
Database identifiers
- CAS
74261-16-8- PubChem CID
- 3037563
- DTXSID
DTXSID60225272
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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