2-(thiolan-2-yl)ethanol

C6H12OS — CID 14792110

IUPAC2-(thiolan-2-yl)ethanol
SMILESOCCC1CCCS1
InChIInChI=1S/C6H12OS/c7-4-3-6-2-1-5-8-6/h6-7H,1-5H2
InChIKeyVTGRRYHKOLPZPO-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.26
Rot. Bonds2

About 2-(thiolan-2-yl)ethanol

2-(thiolan-2-yl)ethanol (PubChem CID 14792110) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-(thiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(thiolan-2-yl)ethanol
PubChem CID14792110
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-(thiolan-2-yl)ethanol
SMILESOCCC1CCCS1
InChIInChI=1S/C6H12OS/c7-4-3-6-2-1-5-8-6/h6-7H,1-5H2
InChIKeyVTGRRYHKOLPZPO-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)ethanol?
The IUPAC name of 2-(thiolan-2-yl)ethanol (CID 14792110) is 2-(thiolan-2-yl)ethanol.
What is the SMILES notation for 2-(thiolan-2-yl)ethanol?
The canonical SMILES for 2-(thiolan-2-yl)ethanol is OCCC1CCCS1.
What is the InChIKey of 2-(thiolan-2-yl)ethanol?
The InChIKey is VTGRRYHKOLPZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c7-4-3-6-2-1-5-8-6/h6-7H,1-5H2.
What are the key properties of 2-(thiolan-2-yl)ethanol?
2-(thiolan-2-yl)ethanol has a molecular weight of 132.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)ethanol is sourced from PubChem (CID 14792110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).