1,1,1-trifluoro-2-methylsulfonylsulfanylethane

C3H5F3O2S2 — CID 556221

IUPAC1,1,1-trifluoro-2-methylsulfonylsulfanylethane
SMILESCS(=O)(=O)SCC(F)(F)F
InChIInChI=1S/C3H5F3O2S2/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
InChIKeySUDCHGYJJRDSKP-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.24
Rot. Bonds2

About 1,1,1-trifluoro-2-methylsulfonylsulfanylethane

1,1,1-trifluoro-2-methylsulfonylsulfanylethane (PubChem CID 556221) has the molecular formula C3H5F3O2S2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methylsulfonylsulfanylethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methylsulfonylsulfanylethane
PubChem CID556221
Molecular FormulaC3H5F3O2S2
Molecular Weight194.20 g/mol
Exact Mass193.97
IUPAC Name1,1,1-trifluoro-2-methylsulfonylsulfanylethane
SMILESCS(=O)(=O)SCC(F)(F)F
InChIInChI=1S/C3H5F3O2S2/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
InChIKeySUDCHGYJJRDSKP-UHFFFAOYSA-N
XLogP1.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl(methylthio) trifluoromethanesulfonate
CID 87517389
S-(2-Fluoroethyl) methanesulfonothioate
CID 555990
1,1,1-Trifluoro-2-methylsulfanylsulfonylethane
CID 2760708
Ethylsulfanyl trifluoromethanesulfonate
CID 12963239
Trifluoromethylsulfonyl ethanesulfonate
CID 15557269
2,2-Difluoropropane-1-sulfonate
CID 58100653
Trifluoromethyl ethanesulfonate
CID 87251774
Propan-2-ylsulfanyl trifluoromethanesulfonate;sulfane
CID 87517388
1,1,1-Trifluoro-2-methylsulfonylsulfinylethane
CID 87958982
(Propan-2-yldisulfanyl) trifluoromethanesulfonate
CID 88039675
1-(Trifluoromethylsulfinylsulfinyl)ethane
CID 91155279
1,1,1-Trifluoro-2-methylsulfinylsulfanylethane
CID 135345255

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methylsulfonylsulfanylethane?
The IUPAC name of 1,1,1-trifluoro-2-methylsulfonylsulfanylethane (CID 556221) is 1,1,1-trifluoro-2-methylsulfonylsulfanylethane.
What is the SMILES notation for 1,1,1-trifluoro-2-methylsulfonylsulfanylethane?
The canonical SMILES for 1,1,1-trifluoro-2-methylsulfonylsulfanylethane is CS(=O)(=O)SCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methylsulfonylsulfanylethane?
The InChIKey is SUDCHGYJJRDSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O2S2/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-methylsulfonylsulfanylethane?
1,1,1-trifluoro-2-methylsulfonylsulfanylethane has a molecular weight of 194.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methylsulfonylsulfanylethane is sourced from PubChem (CID 556221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).