trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane

C7H19F3O3S4 — CID 174796924

IUPACtrifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane
SMILESCS(C)(C)SS(C)(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H18S3.CHF3O3S/c1-8(2,3)7-9(4,5)6;2-1(3,4)8(5,6)7/h1-6H3;(H,5,6,7)
InChIKeyYZCNLNKCADEMFV-UHFFFAOYSA-N
MW336.49 g/mol
LogP3.33
Rot. Bonds2

About trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane

trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane (PubChem CID 174796924) has the molecular formula C7H19F3O3S4 and a molecular weight of 336.49 g/mol. Its IUPAC name is trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane.

Molecular Properties

Compound Nametrifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane
PubChem CID174796924
Molecular FormulaC7H19F3O3S4
Molecular Weight336.49 g/mol
Exact Mass336.02
IUPAC Nametrifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane
SMILESCS(C)(C)SS(C)(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H18S3.CHF3O3S/c1-8(2,3)7-9(4,5)6;2-1(3,4)8(5,6)7/h1-6H3;(H,5,6,7)
InChIKeyYZCNLNKCADEMFV-UHFFFAOYSA-N
XLogP3.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
iodomethane;trifluoromethanesulfonic acid
CID 87959782
methanethiol;trifluoromethanesulfonic acid
CID 171923949
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
platinum;trifluoromethanesulfonic acid
CID 87655055
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
disulfanylmethane;trifluoromethanesulfonic acid
CID 171924126
CID 160972181
CID 160972181
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356

Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane?
The IUPAC name of trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane (CID 174796924) is trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane.
What is the SMILES notation for trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane?
The canonical SMILES for trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane is CS(C)(C)SS(C)(C)C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane?
The InChIKey is YZCNLNKCADEMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18S3.CHF3O3S/c1-8(2,3)7-9(4,5)6;2-1(3,4)8(5,6)7/h1-6H3;(H,5,6,7).
What are the key properties of trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane?
trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane has a molecular weight of 336.49 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane is sourced from PubChem (CID 174796924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).