1-(2-methylprop-2-enyl)thiolan-1-ium

C8H15S+ — CID 20754313

IUPAC1-(2-methylprop-2-enyl)thiolan-1-ium
SMILESC=C(C)C[S+]1CCCC1
InChIInChI=1S/C8H15S/c1-8(2)7-9-5-3-4-6-9/h1,3-7H2,2H3/q+1
InChIKeyCFTLCBDYZCXHLE-UHFFFAOYSA-N
MW143.27 g/mol
LogP1.97
Rot. Bonds2

About 1-(2-methylprop-2-enyl)thiolan-1-ium

1-(2-methylprop-2-enyl)thiolan-1-ium (PubChem CID 20754313) has the molecular formula C8H15S+ and a molecular weight of 143.27 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)thiolan-1-ium.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)thiolan-1-ium
PubChem CID20754313
Molecular FormulaC8H15S+
Molecular Weight143.27 g/mol
Exact Mass143.09
IUPAC Name1-(2-methylprop-2-enyl)thiolan-1-ium
SMILESC=C(C)C[S+]1CCCC1
InChIInChI=1S/C8H15S/c1-8(2)7-9-5-3-4-6-9/h1,3-7H2,2H3/q+1
InChIKeyCFTLCBDYZCXHLE-UHFFFAOYSA-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 ≤ 500143.27
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-(2-methylprop-2-enyl)thiolan-1-ium?
The IUPAC name of 1-(2-methylprop-2-enyl)thiolan-1-ium (CID 20754313) is 1-(2-methylprop-2-enyl)thiolan-1-ium.
What is the SMILES notation for 1-(2-methylprop-2-enyl)thiolan-1-ium?
The canonical SMILES for 1-(2-methylprop-2-enyl)thiolan-1-ium is C=C(C)C[S+]1CCCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)thiolan-1-ium?
The InChIKey is CFTLCBDYZCXHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15S/c1-8(2)7-9-5-3-4-6-9/h1,3-7H2,2H3/q+1.
What are the key properties of 1-(2-methylprop-2-enyl)thiolan-1-ium?
1-(2-methylprop-2-enyl)thiolan-1-ium has a molecular weight of 143.27 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-(2-methylprop-2-enyl)thiolan-1-ium is sourced from PubChem (CID 20754313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).