2-[10-(Phenylsulfanyl)hexadeca-7,9-dien-7-YL]pyridine
Basic information
- CAS
830320-18-8- Standard SMILES
CCCCCCC(=CC=C(CCCCCC)c1ccccn1)Sc1ccccc1- InChIKey
BVPYULPXVUINEI-UHFFFAOYSA-N- Molecular formula
- C27H37NS
- Average molar mass
- 407.7 g/mol
- Monoisotopic mass
- 407.26467136
Names & identifiers
- Preferred name
- 2-[10-(Phenylsulfanyl)hexadeca-7,9-dien-7-YL]pyridine
- IUPAC
- 2-(10-phenylsulfanylhexadeca-7,9-dien-7-yl)pyridine
Names & synonyms
830320-18-8DTXSID608360042-[10-(PHENYLSULFANYL)HEXADECA-7,9-DIEN-7-YL]PYRIDINE
Database identifiers
- CAS
830320-18-8- PubChem CID
- 71416628
- DTXSID
DTXSID60836004
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…