1-[(E)-but-2-enyl]thiolan-1-ium

C8H15S+ — CID 19360852

IUPAC1-[(E)-but-2-enyl]thiolan-1-ium
SMILESC/C=C/C[S+]1CCCC1
InChIInChI=1S/C8H15S/c1-2-3-6-9-7-4-5-8-9/h2-3H,4-8H2,1H3/q+1/b3-2+
InChIKeyQZJBIRJBJJUFNL-NSCUHMNNSA-N
MW143.28 g/mol
LogP1.97
Rot. Bonds2

About 1-[(E)-but-2-enyl]thiolan-1-ium

1-[(E)-but-2-enyl]thiolan-1-ium (PubChem CID 19360852) has the molecular formula C8H15S+ and a molecular weight of 143.28 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]thiolan-1-ium.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]thiolan-1-ium
PubChem CID19360852
Molecular FormulaC8H15S+
Molecular Weight143.28 g/mol
Exact Mass143.09
IUPAC Name1-[(E)-but-2-enyl]thiolan-1-ium
SMILESC/C=C/C[S+]1CCCC1
InChIInChI=1S/C8H15S/c1-2-3-6-9-7-4-5-8-9/h2-3H,4-8H2,1H3/q+1/b3-2+
InChIKeyQZJBIRJBJJUFNL-NSCUHMNNSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 1-[(E)-but-2-enyl]thiolan-1-ium?
The IUPAC name of 1-[(E)-but-2-enyl]thiolan-1-ium (CID 19360852) is 1-[(E)-but-2-enyl]thiolan-1-ium.
What is the SMILES notation for 1-[(E)-but-2-enyl]thiolan-1-ium?
The canonical SMILES for 1-[(E)-but-2-enyl]thiolan-1-ium is C/C=C/C[S+]1CCCC1.
What is the InChIKey of 1-[(E)-but-2-enyl]thiolan-1-ium?
The InChIKey is QZJBIRJBJJUFNL-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15S/c1-2-3-6-9-7-4-5-8-9/h2-3H,4-8H2,1H3/q+1/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]thiolan-1-ium?
1-[(E)-but-2-enyl]thiolan-1-ium has a molecular weight of 143.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]thiolan-1-ium is sourced from PubChem (CID 19360852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).