2-[1-(thiolan-2-yl)ethyl]oxolane

C10H18OS — CID 91582838

IUPAC2-[1-(thiolan-2-yl)ethyl]oxolane
SMILESCC(C1CCCO1)C1CCCS1
InChIInChI=1S/C10H18OS/c1-8(9-4-2-6-11-9)10-5-3-7-12-10/h8-10H,2-7H2,1H3
InChIKeyUIQCRMJOFKNPQZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.70
Rot. Bonds2

About 2-[1-(thiolan-2-yl)ethyl]oxolane

2-[1-(thiolan-2-yl)ethyl]oxolane (PubChem CID 91582838) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-[1-(thiolan-2-yl)ethyl]oxolane.

Molecular Properties

Compound Name2-[1-(thiolan-2-yl)ethyl]oxolane
PubChem CID91582838
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-[1-(thiolan-2-yl)ethyl]oxolane
SMILESCC(C1CCCO1)C1CCCS1
InChIInChI=1S/C10H18OS/c1-8(9-4-2-6-11-9)10-5-3-7-12-10/h8-10H,2-7H2,1H3
InChIKeyUIQCRMJOFKNPQZ-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiolan-2-yl)ethyl]oxolane?
The IUPAC name of 2-[1-(thiolan-2-yl)ethyl]oxolane (CID 91582838) is 2-[1-(thiolan-2-yl)ethyl]oxolane.
What is the SMILES notation for 2-[1-(thiolan-2-yl)ethyl]oxolane?
The canonical SMILES for 2-[1-(thiolan-2-yl)ethyl]oxolane is CC(C1CCCO1)C1CCCS1.
What is the InChIKey of 2-[1-(thiolan-2-yl)ethyl]oxolane?
The InChIKey is UIQCRMJOFKNPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(9-4-2-6-11-9)10-5-3-7-12-10/h8-10H,2-7H2,1H3.
What are the key properties of 2-[1-(thiolan-2-yl)ethyl]oxolane?
2-[1-(thiolan-2-yl)ethyl]oxolane has a molecular weight of 186.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiolan-2-yl)ethyl]oxolane is sourced from PubChem (CID 91582838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).