2-[(2-Propyl-2H-isoindol-1-yl)sulfanyl]ethan-1-ol
Basic information
- CAS
61214-21-9- Standard SMILES
CCCn1cc2ccccc2c1SCCO- InChIKey
ZNQWEJNQDULIHO-UHFFFAOYSA-N- Molecular formula
- C13H17NOS
- Average molar mass
- 235.35 g/mol
- Monoisotopic mass
- 235.10308534
Names & identifiers
- Preferred name
- 2-[(2-Propyl-2H-isoindol-1-yl)sulfanyl]ethan-1-ol
- IUPAC
- 2-(2-propylisoindol-1-yl)sulfanylethanol
Names & synonyms
61214-21-92-((2-Propyl-2H-isoindol-1-yl)thio)ethanol2-[(2-Propyl-2H-isoindol-1-yl)sulfanyl]ethan-1-olDTXSID60498080
Database identifiers
- CAS
61214-21-9- PubChem CID
- 12433166
- DTXSID
DTXSID60498080
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
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Compound notes
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