Basic information
- CAS
5362-15-2- Standard SMILES
CC(C)(C)c1ccccc1OCCCCSC#N- InChIKey
IVLJPZRIGRFHKI-UHFFFAOYSA-N- Molecular formula
- C15H21NOS
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.13438547
Names & identifiers
- Preferred name
- 4-(2-Tert-butylphenoxy)butyl thiocyanate
- IUPAC
- 4-(2-tert-butylphenoxy)butyl thiocyanate
Names & synonyms
4-(2-tert-butylphenoxy)butyl thiocyanate5362-15-2Cambridge id 5362152DTXSID60367121
Database identifiers
- CAS
5362-15-2- PubChem CID
- 2232610
- DTXSID
DTXSID60367121
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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