2-ethylthiolane 1,1-dioxide

C6H12O2S — CID 544727

IUPAC2-ethylthiolane 1,1-dioxide
SMILESCCC1CCCS1(=O)=O
InChIInChI=1S/C6H12O2S/c1-2-6-4-3-5-9(6,7)8/h6H,2-5H2,1H3
InChIKeyZCDDAQJNJWLCLL-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.97
Rot. Bonds1

About 2-ethylthiolane 1,1-dioxide

2-ethylthiolane 1,1-dioxide (PubChem CID 544727) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-ethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-ethylthiolane 1,1-dioxide
PubChem CID544727
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-ethylthiolane 1,1-dioxide
SMILESCCC1CCCS1(=O)=O
InChIInChI=1S/C6H12O2S/c1-2-6-4-3-5-9(6,7)8/h6H,2-5H2,1H3
InChIKeyZCDDAQJNJWLCLL-UHFFFAOYSA-N
XLogP0.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthiolane 1,1-dioxide?
The IUPAC name of 2-ethylthiolane 1,1-dioxide (CID 544727) is 2-ethylthiolane 1,1-dioxide.
What is the SMILES notation for 2-ethylthiolane 1,1-dioxide?
The canonical SMILES for 2-ethylthiolane 1,1-dioxide is CCC1CCCS1(=O)=O.
What is the InChIKey of 2-ethylthiolane 1,1-dioxide?
The InChIKey is ZCDDAQJNJWLCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-2-6-4-3-5-9(6,7)8/h6H,2-5H2,1H3.
What are the key properties of 2-ethylthiolane 1,1-dioxide?
2-ethylthiolane 1,1-dioxide has a molecular weight of 148.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiolane 1,1-dioxide is sourced from PubChem (CID 544727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).