5-(Dodecylsulfanyl)-2,3-dihydro-1h-pyrrole
Basic information
- CAS
5397-00-2- Standard SMILES
CCCCCCCCCCCCSC1=CCCN1- InChIKey
ZGGBONCXSDTPTH-UHFFFAOYSA-N- Molecular formula
- C16H31NS
- Average molar mass
- 269.5 g/mol
- Monoisotopic mass
- 269.21772117
Names & identifiers
- Preferred name
- 5-(Dodecylsulfanyl)-2,3-dihydro-1h-pyrrole
- IUPAC
- 5-dodecylsulfanyl-2,3-dihydro-1H-pyrrole
Names & synonyms
5397-00-25-(dodecylsulfanyl)-2,3-dihydro-1h-pyrroleNSC4418DTXSID90968781NSC-4418
Database identifiers
- CAS
5397-00-2- PubChem CID
- 220906
- DTXSID
DTXSID90968781
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 213
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Compound notes
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