3-fluoro-3-methylthiolane 1,1-dioxide

C5H9FO2S — CID 66729893

IUPAC3-fluoro-3-methylthiolane 1,1-dioxide
SMILESCC1(F)CCS(=O)(=O)C1
InChIInChI=1S/C5H9FO2S/c1-5(6)2-3-9(7,8)4-5/h2-4H2,1H3
InChIKeyZWLZOBROCMVHNZ-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.53
Rot. Bonds

About 3-fluoro-3-methylthiolane 1,1-dioxide

3-fluoro-3-methylthiolane 1,1-dioxide (PubChem CID 66729893) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-fluoro-3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-fluoro-3-methylthiolane 1,1-dioxide
PubChem CID66729893
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name3-fluoro-3-methylthiolane 1,1-dioxide
SMILESCC1(F)CCS(=O)(=O)C1
InChIInChI=1S/C5H9FO2S/c1-5(6)2-3-9(7,8)4-5/h2-4H2,1H3
InChIKeyZWLZOBROCMVHNZ-UHFFFAOYSA-N
XLogP0.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylthiolane 1,1-dioxide?
The IUPAC name of 3-fluoro-3-methylthiolane 1,1-dioxide (CID 66729893) is 3-fluoro-3-methylthiolane 1,1-dioxide.
What is the SMILES notation for 3-fluoro-3-methylthiolane 1,1-dioxide?
The canonical SMILES for 3-fluoro-3-methylthiolane 1,1-dioxide is CC1(F)CCS(=O)(=O)C1.
What is the InChIKey of 3-fluoro-3-methylthiolane 1,1-dioxide?
The InChIKey is ZWLZOBROCMVHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c1-5(6)2-3-9(7,8)4-5/h2-4H2,1H3.
What are the key properties of 3-fluoro-3-methylthiolane 1,1-dioxide?
3-fluoro-3-methylthiolane 1,1-dioxide has a molecular weight of 152.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylthiolane 1,1-dioxide is sourced from PubChem (CID 66729893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).