Basic information
- CAS
39057-16-4- Standard SMILES
Cc1ccc(C)c(OCCCCN2CCSC2)c1C.Cl- InChIKey
OWFZQVGXNPFMRU-UHFFFAOYSA-N- Molecular formula
- C16H26ClNOS
- Average molar mass
- 315.9 g/mol
- Monoisotopic mass
- 315.1423633
Names & identifiers
- Preferred name
- Thiazolidine, 3-(4-(2,3,6-trimethylphenoxy)butyl)-, hydrochloride
- IUPAC
- 3-[4-(2,3,6-trimethylphenoxy)butyl]-1,3-thiazolidine;hydrochloride
Names & synonyms
39057-16-4Thiazolidine, 3-(4-(2,3,6-trimethylphenoxy)butyl)-, hydrochloride3-(4-(2,3,6-Trimethylphenoxy)butyl)thiazolidine hydrochlorideDTXSID90192307RefChem:384681DTXCID601147983-[4-(2,3,6-Trimethylphenoxy)butyl]-1,3-thiazolidine--hydrogen chloride (1/1)
Database identifiers
- CAS
39057-16-4- PubChem CID
- 217630
- DTXSID
DTXSID90192307
Properties
Computed structural properties
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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