1-fluoro-2-methylsulfonylsulfanylethane

C3H7FO2S2 — CID 555990

IUPAC1-fluoro-2-methylsulfonylsulfanylethane
SMILESCS(=O)(=O)SCCF
InChIInChI=1S/C3H7FO2S2/c1-8(5,6)7-3-2-4/h2-3H2,1H3
InChIKeyQSGQIRBENGIWQY-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.65
Rot. Bonds3

About 1-fluoro-2-methylsulfonylsulfanylethane

1-fluoro-2-methylsulfonylsulfanylethane (PubChem CID 555990) has the molecular formula C3H7FO2S2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-fluoro-2-methylsulfonylsulfanylethane.

Molecular Properties

Compound Name1-fluoro-2-methylsulfonylsulfanylethane
PubChem CID555990
Molecular FormulaC3H7FO2S2
Molecular Weight158.22 g/mol
Exact Mass157.99
IUPAC Name1-fluoro-2-methylsulfonylsulfanylethane
SMILESCS(=O)(=O)SCCF
InChIInChI=1S/C3H7FO2S2/c1-8(5,6)7-3-2-4/h2-3H2,1H3
InChIKeyQSGQIRBENGIWQY-UHFFFAOYSA-N
XLogP0.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylsulfonylsulfanylethane?
The IUPAC name of 1-fluoro-2-methylsulfonylsulfanylethane (CID 555990) is 1-fluoro-2-methylsulfonylsulfanylethane.
What is the SMILES notation for 1-fluoro-2-methylsulfonylsulfanylethane?
The canonical SMILES for 1-fluoro-2-methylsulfonylsulfanylethane is CS(=O)(=O)SCCF.
What is the InChIKey of 1-fluoro-2-methylsulfonylsulfanylethane?
The InChIKey is QSGQIRBENGIWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO2S2/c1-8(5,6)7-3-2-4/h2-3H2,1H3.
What are the key properties of 1-fluoro-2-methylsulfonylsulfanylethane?
1-fluoro-2-methylsulfonylsulfanylethane has a molecular weight of 158.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylsulfonylsulfanylethane is sourced from PubChem (CID 555990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).