hex-5-ynyl(oxo)sulfanium

C6H9OS+ — CID 174760204

IUPAChex-5-ynyl(oxo)sulfanium
SMILESC#CCCCC[S+]=O
InChIInChI=1S/C6H9OS/c1-2-3-4-5-6-8-7/h1H,3-6H2/q+1
InChIKeyWWTHRXUPIBCRER-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.22
Rot. Bonds4

About hex-5-ynyl(oxo)sulfanium

hex-5-ynyl(oxo)sulfanium (PubChem CID 174760204) has the molecular formula C6H9OS+ and a molecular weight of 129.20 g/mol. Its IUPAC name is hex-5-ynyl(oxo)sulfanium.

Molecular Properties

Compound Namehex-5-ynyl(oxo)sulfanium
PubChem CID174760204
Molecular FormulaC6H9OS+
Molecular Weight129.20 g/mol
Exact Mass129.04
IUPAC Namehex-5-ynyl(oxo)sulfanium
SMILESC#CCCCC[S+]=O
InChIInChI=1S/C6H9OS/c1-2-3-4-5-6-8-7/h1H,3-6H2/q+1
InChIKeyWWTHRXUPIBCRER-UHFFFAOYSA-N
XLogP1.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hex-5-ynyl(oxo)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hex-5-ynyl(oxo)sulfanium?
The IUPAC name of hex-5-ynyl(oxo)sulfanium (CID 174760204) is hex-5-ynyl(oxo)sulfanium.
What is the SMILES notation for hex-5-ynyl(oxo)sulfanium?
The canonical SMILES for hex-5-ynyl(oxo)sulfanium is C#CCCCC[S+]=O.
What is the InChIKey of hex-5-ynyl(oxo)sulfanium?
The InChIKey is WWTHRXUPIBCRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9OS/c1-2-3-4-5-6-8-7/h1H,3-6H2/q+1.
What are the key properties of hex-5-ynyl(oxo)sulfanium?
hex-5-ynyl(oxo)sulfanium has a molecular weight of 129.20 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-ynyl(oxo)sulfanium is sourced from PubChem (CID 174760204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).