3-(thiolan-2-yl)oxolane

C8H14OS — CID 69131875

IUPAC3-(thiolan-2-yl)oxolane
SMILESC1CSC(C2CCOC2)C1
InChIInChI=1S/C8H14OS/c1-2-8(10-5-1)7-3-4-9-6-7/h7-8H,1-6H2
InChIKeyCXOINSDROZAWGN-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.92
Rot. Bonds1

About 3-(thiolan-2-yl)oxolane

3-(thiolan-2-yl)oxolane (PubChem CID 69131875) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-(thiolan-2-yl)oxolane.

Molecular Properties

Compound Name3-(thiolan-2-yl)oxolane
PubChem CID69131875
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-(thiolan-2-yl)oxolane
SMILESC1CSC(C2CCOC2)C1
InChIInChI=1S/C8H14OS/c1-2-8(10-5-1)7-3-4-9-6-7/h7-8H,1-6H2
InChIKeyCXOINSDROZAWGN-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)oxolane?
The IUPAC name of 3-(thiolan-2-yl)oxolane (CID 69131875) is 3-(thiolan-2-yl)oxolane.
What is the SMILES notation for 3-(thiolan-2-yl)oxolane?
The canonical SMILES for 3-(thiolan-2-yl)oxolane is C1CSC(C2CCOC2)C1.
What is the InChIKey of 3-(thiolan-2-yl)oxolane?
The InChIKey is CXOINSDROZAWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-8(10-5-1)7-3-4-9-6-7/h7-8H,1-6H2.
What are the key properties of 3-(thiolan-2-yl)oxolane?
3-(thiolan-2-yl)oxolane has a molecular weight of 158.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)oxolane is sourced from PubChem (CID 69131875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).