(3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite

C8H9IOS — CID 142828022

IUPAC(3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite
SMILESO=C(C#CSI)C1CCCC1
InChIInChI=1S/C8H9IOS/c9-11-6-5-8(10)7-3-1-2-4-7/h7H,1-4H2
InChIKeyQPJBLICMCOHPEG-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.79
Rot. Bonds1

About (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite

(3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite (PubChem CID 142828022) has the molecular formula C8H9IOS and a molecular weight of 280.13 g/mol. Its IUPAC name is (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite.

Molecular Properties

Compound Name(3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite
PubChem CID142828022
Molecular FormulaC8H9IOS
Molecular Weight280.13 g/mol
Exact Mass279.94
IUPAC Name(3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite
SMILESO=C(C#CSI)C1CCCC1
InChIInChI=1S/C8H9IOS/c9-11-6-5-8(10)7-3-1-2-4-7/h7H,1-4H2
InChIKeyQPJBLICMCOHPEG-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite?
The IUPAC name of (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite (CID 142828022) is (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite.
What is the SMILES notation for (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite?
The canonical SMILES for (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite is O=C(C#CSI)C1CCCC1.
What is the InChIKey of (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite?
The InChIKey is QPJBLICMCOHPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IOS/c9-11-6-5-8(10)7-3-1-2-4-7/h7H,1-4H2.
What are the key properties of (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite?
(3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite has a molecular weight of 280.13 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyl-3-oxoprop-1-ynyl) thiohypoiodite is sourced from PubChem (CID 142828022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).