Undecyl thiocyanate
Basic information
- CAS
32446-42-7- Standard SMILES
CCCCCCCCCCCSC#N- InChIKey
ZSTQFMYJANZQQT-UHFFFAOYSA-N- Molecular formula
- C12H23NS
- Average molar mass
- 213.38 g/mol
- Monoisotopic mass
- 213.15512091
Names & identifiers
- Preferred name
- Undecyl thiocyanate
- IUPAC
- undecyl thiocyanate
Names & synonyms
Undecyl thiocyanate32446-42-7DTXSID20712239RefChem:386924DTXCID00662985UndecylrhodanidSCHEMBL6240474
Database identifiers
- CAS
32446-42-7- PubChem CID
- 54564342
- DTXSID
DTXSID20712239
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 148
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Related reactions
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Compound notes
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