(1-ethynylcyclopentyl)-oxosulfanium

C7H9OS+ — CID 174460267

IUPAC(1-ethynylcyclopentyl)-oxosulfanium
SMILESC#CC1([S+]=O)CCCC1
InChIInChI=1S/C7H9OS/c1-2-7(9-8)5-3-4-6-7/h1H,3-6H2/q+1
InChIKeyXLQRWILEMNKYRG-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.36
Rot. Bonds1

About (1-ethynylcyclopentyl)-oxosulfanium

(1-ethynylcyclopentyl)-oxosulfanium (PubChem CID 174460267) has the molecular formula C7H9OS+ and a molecular weight of 141.22 g/mol. Its IUPAC name is (1-ethynylcyclopentyl)-oxosulfanium.

Molecular Properties

Compound Name(1-ethynylcyclopentyl)-oxosulfanium
PubChem CID174460267
Molecular FormulaC7H9OS+
Molecular Weight141.22 g/mol
Exact Mass141.04
IUPAC Name(1-ethynylcyclopentyl)-oxosulfanium
SMILESC#CC1([S+]=O)CCCC1
InChIInChI=1S/C7H9OS/c1-2-7(9-8)5-3-4-6-7/h1H,3-6H2/q+1
InChIKeyXLQRWILEMNKYRG-UHFFFAOYSA-N
XLogP1.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethynylcyclopentyl)-oxosulfanium?
The IUPAC name of (1-ethynylcyclopentyl)-oxosulfanium (CID 174460267) is (1-ethynylcyclopentyl)-oxosulfanium.
What is the SMILES notation for (1-ethynylcyclopentyl)-oxosulfanium?
The canonical SMILES for (1-ethynylcyclopentyl)-oxosulfanium is C#CC1([S+]=O)CCCC1.
What is the InChIKey of (1-ethynylcyclopentyl)-oxosulfanium?
The InChIKey is XLQRWILEMNKYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9OS/c1-2-7(9-8)5-3-4-6-7/h1H,3-6H2/q+1.
What are the key properties of (1-ethynylcyclopentyl)-oxosulfanium?
(1-ethynylcyclopentyl)-oxosulfanium has a molecular weight of 141.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethynylcyclopentyl)-oxosulfanium is sourced from PubChem (CID 174460267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).