2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane

C6H11F3OS2 — CID 135040258

IUPAC2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane
SMILESCC(C)SCCS(=O)C(F)(F)F
InChIInChI=1S/C6H11F3OS2/c1-5(2)11-3-4-12(10)6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyZMCOLYVJOWJUSE-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.40
Rot. Bonds4

About 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane

2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane (PubChem CID 135040258) has the molecular formula C6H11F3OS2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane
PubChem CID135040258
Molecular FormulaC6H11F3OS2
Molecular Weight220.28 g/mol
Exact Mass220.02
IUPAC Name2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane
SMILESCC(C)SCCS(=O)C(F)(F)F
InChIInChI=1S/C6H11F3OS2/c1-5(2)11-3-4-12(10)6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyZMCOLYVJOWJUSE-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane?
The IUPAC name of 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane (CID 135040258) is 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane.
What is the SMILES notation for 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane?
The canonical SMILES for 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane is CC(C)SCCS(=O)C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane?
The InChIKey is ZMCOLYVJOWJUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3OS2/c1-5(2)11-3-4-12(10)6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane?
2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane has a molecular weight of 220.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfinyl)ethylsulfanyl]propane is sourced from PubChem (CID 135040258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).