2-cyclopentylthiolane

C9H16S — CID 173273032

IUPAC2-cyclopentylthiolane
SMILESC1CCC(C2CCCS2)C1
InChIInChI=1S/C9H16S/c1-2-5-8(4-1)9-6-3-7-10-9/h8-9H,1-7H2
InChIKeyYPAVUIWXFWWACP-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.07
Rot. Bonds1

About 2-cyclopentylthiolane

2-cyclopentylthiolane (PubChem CID 173273032) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2-cyclopentylthiolane.

Molecular Properties

Compound Name2-cyclopentylthiolane
PubChem CID173273032
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2-cyclopentylthiolane
SMILESC1CCC(C2CCCS2)C1
InChIInChI=1S/C9H16S/c1-2-5-8(4-1)9-6-3-7-10-9/h8-9H,1-7H2
InChIKeyYPAVUIWXFWWACP-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylthiolane?
The IUPAC name of 2-cyclopentylthiolane (CID 173273032) is 2-cyclopentylthiolane.
What is the SMILES notation for 2-cyclopentylthiolane?
The canonical SMILES for 2-cyclopentylthiolane is C1CCC(C2CCCS2)C1.
What is the InChIKey of 2-cyclopentylthiolane?
The InChIKey is YPAVUIWXFWWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-2-5-8(4-1)9-6-3-7-10-9/h8-9H,1-7H2.
What are the key properties of 2-cyclopentylthiolane?
2-cyclopentylthiolane has a molecular weight of 156.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylthiolane is sourced from PubChem (CID 173273032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).