disulfanylmethane;trifluoromethanesulfonic acid

C2H5F3O3S3 — CID 171924126

IUPACdisulfanylmethane;trifluoromethanesulfonic acid
SMILESCSS.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/CHF3O3S.CH4S2/c2-1(3,4)8(5,6)7;1-3-2/h(H,5,6,7);2H,1H3
InChIKeyISOJIDNARKSYPY-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.59
Rot. Bonds

About disulfanylmethane;trifluoromethanesulfonic acid

disulfanylmethane;trifluoromethanesulfonic acid (PubChem CID 171924126) has the molecular formula C2H5F3O3S3 and a molecular weight of 230.25 g/mol. Its IUPAC name is disulfanylmethane;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namedisulfanylmethane;trifluoromethanesulfonic acid
PubChem CID171924126
Molecular FormulaC2H5F3O3S3
Molecular Weight230.25 g/mol
Exact Mass229.94
IUPAC Namedisulfanylmethane;trifluoromethanesulfonic acid
SMILESCSS.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/CHF3O3S.CH4S2/c2-1(3,4)8(5,6)7;1-3-2/h(H,5,6,7);2H,1H3
InChIKeyISOJIDNARKSYPY-UHFFFAOYSA-N
XLogP1.59
TPSA54.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

methanethiol;trifluoromethanesulfonic acid
CID 171923949
iodomethane;trifluoromethanesulfonic acid
CID 87959782
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
platinum;trifluoromethanesulfonic acid
CID 87655055
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;zinc
CID 45051803
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
CID 160972181
CID 160972181
trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane
CID 174796924
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356

Frequently Asked Questions

What is the IUPAC name of disulfanylmethane;trifluoromethanesulfonic acid?
The IUPAC name of disulfanylmethane;trifluoromethanesulfonic acid (CID 171924126) is disulfanylmethane;trifluoromethanesulfonic acid.
What is the SMILES notation for disulfanylmethane;trifluoromethanesulfonic acid?
The canonical SMILES for disulfanylmethane;trifluoromethanesulfonic acid is CSS.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of disulfanylmethane;trifluoromethanesulfonic acid?
The InChIKey is ISOJIDNARKSYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3O3S.CH4S2/c2-1(3,4)8(5,6)7;1-3-2/h(H,5,6,7);2H,1H3.
What are the key properties of disulfanylmethane;trifluoromethanesulfonic acid?
disulfanylmethane;trifluoromethanesulfonic acid has a molecular weight of 230.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanylmethane;trifluoromethanesulfonic acid is sourced from PubChem (CID 171924126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).