Basic information
- CAS
5359-88-6- Standard SMILES
N#CSCCCCCOc1ccc(Cl)cc1- InChIKey
MTFCXQJEGJYQEC-UHFFFAOYSA-N- Molecular formula
- C12H14ClNOS
- Average molar mass
- 255.76 g/mol
- Monoisotopic mass
- 255.0484629
Names & identifiers
- Preferred name
- 5-(4-Chlorophenoxy)pentyl thiocyanate
- IUPAC
- 5-(4-chlorophenoxy)pentyl thiocyanate
Names & synonyms
5-(4-chlorophenoxy)pentyl thiocyanate5359-88-6DTXSID90367114AB00082918-01
Database identifiers
- CAS
5359-88-6- PubChem CID
- 2232452
- DTXSID
DTXSID90367114
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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