2-Tetradecylsulfanyl-ethanol

Substructure search Find similar structures

Basic information

CAS: 26535-61-5
Standard SMILES: CCCCCCCCCCCCCCSCCO
InChIKey: HROSXDVULOBNMU-UHFFFAOYSA-N
Molecular formula: C16H34OS
Average molar mass: 274.5 g/mol
Monoisotopic mass: 274.23303688

Names & identifiers

Preferred name: 2-Tetradecylsulfanyl-ethanol
IUPAC: 2-tetradecylsulfanylethanol

Names & synonyms

2-Tetradecylsulfanyl-ethanol26535-61-5DTXSID50307874RefChem:267186DTXCID502590012-(Tetradecylthio)ethanolNSC196144Ethanol,2-(tetradecylthio)-SCHEMBL29089922-(Tetradecylsulfanyl)ethan-1-olHROSXDVULOBNMU-UHFFFAOYSA-NMFCD00087202

Show more names

NSC-196144SY407539DS-010851

Database identifiers

CAS: 26535-61-5
PubChem CID: 304347
DTXSID: DTXSID50307874

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 15
Heavy atoms: 18
Formal charge: 0
Complexity: 139

Related reactions

2 records

New reaction record

HRID 401857As productuspto-grants-2014_06

HRID 401858As reactantuspto-grants-2014_06

Compound notes

Loading…