Basic information
- CAS
64070-80-0- Standard SMILES
CC[N+](C)(CC)CCSc1ccccc1NC(C)=O.[I-]- InChIKey
WJCBTRXULGGMSI-UHFFFAOYSA-N- Molecular formula
- C15H25IN2OS
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 408.07323
Names & identifiers
- Preferred name
- Ammonium, (2-(o-acetamidophenylthio)ethyl)diethylmethyl-, iodide
- IUPAC
- 2-(2-acetamidophenyl)sulfanylethyl-diethyl-methylazanium iodide
Names & synonyms
USAF A-12634N,N-Diethyl-2-(o-acetamidophenylthio)ethylamine methiodide64070-80-0AMMONIUM, (2-(o-ACETAMIDOPHENYLTHIO)ETHYL)DIETHYLMETHYL-, IODIDEEthylamine, N,N-diethyl-2-(o-acetamidophenylthio)-, methiodideRefChem:318765
Database identifiers
- CAS
64070-80-0- PubChem CID
- 47273
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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