Basic information
- CAS
19617-35-7- Standard SMILES
CC[N+](CC)(CC)Cc1ccccc1.N#C[S-]- InChIKey
DBYIPBJRDWQOHF-UHFFFAOYSA-M- Molecular formula
- C14H22N2S
- Average molar mass
- 250.41 g/mol
- Monoisotopic mass
- 250.15036988
Names & identifiers
- Preferred name
- Ammonium, benzyltriethyl-, thiocyanate
- IUPAC
- benzyl(triethyl)azanium thiocyanate
Names & synonyms
Benzyltriethylammonium thiocyanateAMMONIUM, BENZYLTRIETHYL-, THIOCYANATEN,N,N-Triethylbenzenemethanaminium thiocyanate19617-35-7Benzenemethanaminium, N,N,N-triethyl-, thiocyanateDTXSID60173284RefChem:319180DTXCID3095775Benzenemethanaminium, N,N,N-triethyl-, thiocyanate (9CI)SCHEMBL9841115N-benzyl-N,N-diethylethanaminium thiocyanate
Database identifiers
- CAS
19617-35-7- PubChem CID
- 29689
- DTXSID
DTXSID60173284
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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