pentyl-bis(prop-2-enyl)sulfanium

C11H21S+ — CID 87522318

IUPACpentyl-bis(prop-2-enyl)sulfanium
SMILESC=CC[S+](CC=C)CCCCC
InChIInChI=1S/C11H21S/c1-4-7-8-11-12(9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3/q+1
InChIKeyGCOXUCFZWBANTK-UHFFFAOYSA-N
MW185.36 g/mol
LogP3.17
Rot. Bonds8

About pentyl-bis(prop-2-enyl)sulfanium

pentyl-bis(prop-2-enyl)sulfanium (PubChem CID 87522318) has the molecular formula C11H21S+ and a molecular weight of 185.36 g/mol. Its IUPAC name is pentyl-bis(prop-2-enyl)sulfanium.

Molecular Properties

Compound Namepentyl-bis(prop-2-enyl)sulfanium
PubChem CID87522318
Molecular FormulaC11H21S+
Molecular Weight185.36 g/mol
Exact Mass185.14
IUPAC Namepentyl-bis(prop-2-enyl)sulfanium
SMILESC=CC[S+](CC=C)CCCCC
InChIInChI=1S/C11H21S/c1-4-7-8-11-12(9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3/q+1
InChIKeyGCOXUCFZWBANTK-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentyl-bis(prop-2-enyl)sulfanium?
The IUPAC name of pentyl-bis(prop-2-enyl)sulfanium (CID 87522318) is pentyl-bis(prop-2-enyl)sulfanium.
What is the SMILES notation for pentyl-bis(prop-2-enyl)sulfanium?
The canonical SMILES for pentyl-bis(prop-2-enyl)sulfanium is C=CC[S+](CC=C)CCCCC.
What is the InChIKey of pentyl-bis(prop-2-enyl)sulfanium?
The InChIKey is GCOXUCFZWBANTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21S/c1-4-7-8-11-12(9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3/q+1.
What are the key properties of pentyl-bis(prop-2-enyl)sulfanium?
pentyl-bis(prop-2-enyl)sulfanium has a molecular weight of 185.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl-bis(prop-2-enyl)sulfanium is sourced from PubChem (CID 87522318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).