Basic information
- CAS
667908-53-4- Standard SMILES
CCOc1ccccc1N1CN(CC)CNC1=S- InChIKey
CADCLDJXCRAWCX-UHFFFAOYSA-N- Molecular formula
- C13H19N3OS
- Average molar mass
- 265.38 g/mol
- Monoisotopic mass
- 265.12488341
Names & identifiers
- Preferred name
- 1-(2-Ethoxyphenyl)-5-ethyl-1,3,5-triazinane-2-thione
- IUPAC
- 1-(2-ethoxyphenyl)-5-ethyl-1,3,5-triazinane-2-thione
- English name
- 1-(2-ethoxyphenyl)-5-ethyl-1,3,5-triazinane-2-thione
- Molecular formula
- C13H19N3OS
- Molecular weight
- 265.37446
Names & synonyms
1-(2-ethoxyphenyl)-5-ethyl-1,3,5-triazinane-2-thioneMLS000545739CHEMBL1525973HMS2159D06HMS3353L20CCG-23590AKOS001688981SMR000161699AQ-090/41728976SR-01000112603SR-01000112603-1
Database identifiers
- CAS
667908-53-4- PubChem CID
- 751651
- ChEMBL
CHEMBL1525973
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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