trifluoromethylsulfanylethane

C3H5F3S — CID 582485

IUPACtrifluoromethylsulfanylethane
SMILESCCSC(F)(F)F
InChIInChI=1S/C3H5F3S/c1-2-7-3(4,5)6/h2H2,1H3
InChIKeyXXGOXSOUEZAGBR-UHFFFAOYSA-N
MW130.13 g/mol
LogP2.26
Rot. Bonds1

About trifluoromethylsulfanylethane

trifluoromethylsulfanylethane (PubChem CID 582485) has the molecular formula C3H5F3S and a molecular weight of 130.13 g/mol. Its IUPAC name is trifluoromethylsulfanylethane.

Molecular Properties

Compound Nametrifluoromethylsulfanylethane
PubChem CID582485
Molecular FormulaC3H5F3S
Molecular Weight130.13 g/mol
Exact Mass130.01
IUPAC Nametrifluoromethylsulfanylethane
SMILESCCSC(F)(F)F
InChIInChI=1S/C3H5F3S/c1-2-7-3(4,5)6/h2H2,1H3
InChIKeyXXGOXSOUEZAGBR-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfanylethane?
The IUPAC name of trifluoromethylsulfanylethane (CID 582485) is trifluoromethylsulfanylethane.
What is the SMILES notation for trifluoromethylsulfanylethane?
The canonical SMILES for trifluoromethylsulfanylethane is CCSC(F)(F)F.
What is the InChIKey of trifluoromethylsulfanylethane?
The InChIKey is XXGOXSOUEZAGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3S/c1-2-7-3(4,5)6/h2H2,1H3.
What are the key properties of trifluoromethylsulfanylethane?
trifluoromethylsulfanylethane has a molecular weight of 130.13 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfanylethane is sourced from PubChem (CID 582485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).