2-(oxan-2-ylsulfanyl)ethanol

C7H14O2S — CID 15238321

IUPAC2-(oxan-2-ylsulfanyl)ethanol
SMILESOCCSC1CCCCO1
InChIInChI=1S/C7H14O2S/c8-4-6-10-7-3-1-2-5-9-7/h7-8H,1-6H2
InChIKeyXMLWTBLHRQEJCD-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.24
Rot. Bonds3

About 2-(oxan-2-ylsulfanyl)ethanol

2-(oxan-2-ylsulfanyl)ethanol (PubChem CID 15238321) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-(oxan-2-ylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(oxan-2-ylsulfanyl)ethanol
PubChem CID15238321
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-(oxan-2-ylsulfanyl)ethanol
SMILESOCCSC1CCCCO1
InChIInChI=1S/C7H14O2S/c8-4-6-10-7-3-1-2-5-9-7/h7-8H,1-6H2
InChIKeyXMLWTBLHRQEJCD-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylsulfanyl)ethanol?
The IUPAC name of 2-(oxan-2-ylsulfanyl)ethanol (CID 15238321) is 2-(oxan-2-ylsulfanyl)ethanol.
What is the SMILES notation for 2-(oxan-2-ylsulfanyl)ethanol?
The canonical SMILES for 2-(oxan-2-ylsulfanyl)ethanol is OCCSC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylsulfanyl)ethanol?
The InChIKey is XMLWTBLHRQEJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c8-4-6-10-7-3-1-2-5-9-7/h7-8H,1-6H2.
What are the key properties of 2-(oxan-2-ylsulfanyl)ethanol?
2-(oxan-2-ylsulfanyl)ethanol has a molecular weight of 162.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylsulfanyl)ethanol is sourced from PubChem (CID 15238321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).