Ethanaminium, 2-((3-ethyl-3,4-dihydro-5,6-dimethyl-4-oxothieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide
Basic information
- CAS
130921-56-1- Standard SMILES
CCn1c(SCC[N+](C)(C)C)nc2sc(C)c(C)c2c1=O.[I-]- InChIKey
RCNRGOWCBHEUQG-UHFFFAOYSA-M- Molecular formula
- C15H24IN3OS2
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.04055
Names & identifiers
- Preferred name
- Ethanaminium, 2-((3-ethyl-3,4-dihydro-5,6-dimethyl-4-oxothieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide
- IUPAC
- 2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylethyl-trimethylazanium iodide
Names & synonyms
130921-56-1Ethanaminium, 2-((3-ethyl-3,4-dihydro-5,6-dimethyl-4-oxothieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodideRefChem:339915DTXSID809269712-[(3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N,N-trimethylethan-1-aminium iodide
Database identifiers
- CAS
130921-56-1- PubChem CID
- 3076368
- DTXSID
DTXSID80926971
Properties
Computed structural properties
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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