Basic information
- CAS
102571-35-7- Standard SMILES
CC[N+](C)(CC)CCSc1ccc(NC(C)=O)cc1.[I-]- InChIKey
IDRVTRIJGYFJBL-UHFFFAOYSA-N- Molecular formula
- C15H25IN2OS
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 408.07323
Names & identifiers
- Preferred name
- Ammonium, (2-(p-acetamidophenyl)thioethyl)diethylmethyl-, iodide
- IUPAC
- 2-(4-acetamidophenyl)sulfanylethyl-diethyl-methylazanium iodide
Names & synonyms
102571-35-7USAF A-12627AMMONIUM, (2-(p-ACETAMIDOPHENYL)THIOETHYL)DIETHYLMETHYL-, IODIDEN,N-Diethyl-beta-(p-acetamidophenylthio)ethylamine methiodideRefChem:3187702-(4-ACETAMIDOPHENYL)SULFANYLETHYL-DIETHYL-METHYL-AZANIUM IODIDE2-(4-acetamidophenyl)sulfanylethyl-diethyl-methylazanium;iodide2-(4-acetamidophenyl)sulfanylethyl-diethylmethyl-azanium iodide
Database identifiers
- CAS
102571-35-7- PubChem CID
- 59522
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
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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