Basic information
- CAS
16776-64-0- Standard SMILES
C[N+](C)(CCOc1ccccc1)Cc1cccs1- InChIKey
KYCIUIVANPKXLW-UHFFFAOYSA-N- Molecular formula
- C15H20NOS+
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.12656044
Names & identifiers
- Preferred name
- Thenium
- IUPAC
- dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
Names & synonyms
TheniumThenium cationThenium ionUNII-3DDR181HS33DDR181HS32-Thiophenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-16776-64-0RefChem:189167SCHEMBL166991CHEMBL2111038N,N-Dimethyl-N-(2-phenoxyethyl)-2-thiophenemethanaminiumQ27257074
Database identifiers
- CAS
16776-64-0- PubChem CID
- 20294
- ChEMBL
CHEMBL2111038- UNII
- 3DDR181HS3
- Nikkaji
- J215.819A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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