2-ethenylthiolane

C6H10S — CID 10964454

IUPAC2-ethenylthiolane
SMILESC=CC1CCCS1
InChIInChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h2,6H,1,3-5H2
InChIKeyYQGVJKSRGWEXGU-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.07
Rot. Bonds1

About 2-ethenylthiolane

2-ethenylthiolane (PubChem CID 10964454) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2-ethenylthiolane.

Molecular Properties

Compound Name2-ethenylthiolane
PubChem CID10964454
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2-ethenylthiolane
SMILESC=CC1CCCS1
InChIInChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h2,6H,1,3-5H2
InChIKeyYQGVJKSRGWEXGU-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylthiolane?
The IUPAC name of 2-ethenylthiolane (CID 10964454) is 2-ethenylthiolane.
What is the SMILES notation for 2-ethenylthiolane?
The canonical SMILES for 2-ethenylthiolane is C=CC1CCCS1.
What is the InChIKey of 2-ethenylthiolane?
The InChIKey is YQGVJKSRGWEXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h2,6H,1,3-5H2.
What are the key properties of 2-ethenylthiolane?
2-ethenylthiolane has a molecular weight of 114.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylthiolane is sourced from PubChem (CID 10964454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).