penta-2,4-diynylidynesulfanium

C5S — CID 101271079

IUPACpenta-2,4-diynylidynesulfanium
SMILES[C-]#CC#CC#[S+]
InChIInChI=1S/C5S/c1-2-3-4-5-6
InChIKeyOSDVLXAJVSEOND-UHFFFAOYSA-N
MW92.12 g/mol
LogP0.09
Rot. Bonds

About penta-2,4-diynylidynesulfanium

penta-2,4-diynylidynesulfanium (PubChem CID 101271079) has the molecular formula C5S and a molecular weight of 92.12 g/mol. Its IUPAC name is penta-2,4-diynylidynesulfanium.

Molecular Properties

Compound Namepenta-2,4-diynylidynesulfanium
PubChem CID101271079
Molecular FormulaC5S
Molecular Weight92.12 g/mol
Exact Mass91.97
IUPAC Namepenta-2,4-diynylidynesulfanium
SMILES[C-]#CC#CC#[S+]
InChIInChI=1S/C5S/c1-2-3-4-5-6
InChIKeyOSDVLXAJVSEOND-UHFFFAOYSA-N
XLogP0.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.12
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 penta-2,4-diynylidynesulfanium?
The IUPAC name of penta-2,4-diynylidynesulfanium (CID 101271079) is penta-2,4-diynylidynesulfanium.
What is the SMILES notation for penta-2,4-diynylidynesulfanium?
The canonical SMILES for penta-2,4-diynylidynesulfanium is [C-]#CC#CC#[S+].
What is the InChIKey of penta-2,4-diynylidynesulfanium?
The InChIKey is OSDVLXAJVSEOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5S/c1-2-3-4-5-6.
What are the key properties of penta-2,4-diynylidynesulfanium?
penta-2,4-diynylidynesulfanium has a molecular weight of 92.12 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for penta-2,4-diynylidynesulfanium is sourced from PubChem (CID 101271079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).