N-(Octadecylthiocarbamoyl)octadecanamide
Basic information
- CAS
6951-61-7- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=S)NC(=O)CCCCCCCCCCCCCCCCC- InChIKey
PGWPWYPKOWCDSC-UHFFFAOYSA-N- Molecular formula
- C37H74N2OS
- Average molar mass
- 595.1 g/mol
- Monoisotopic mass
- 594.55218616
Names & identifiers
- Preferred name
- N-(Octadecylthiocarbamoyl)octadecanamide
- IUPAC
- N-(octadecylcarbamothioyl)octadecanamide
Names & synonyms
6951-61-7N-(octadecylcarbamothioyl)octadecanamideN-(OCTADECYLTHIOCARBAMOYL)OCTADECANAMIDENSC56969DTXSID30398361NSC-56969
Database identifiers
- CAS
6951-61-7- PubChem CID
- 3979493
- DTXSID
DTXSID30398361
Properties
Computed structural properties
- XLogP
- 17.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 33
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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