methanesulfonyl chloride;trifluoromethanesulfonic acid

C2H4ClF3O5S2 — CID 174263970

IUPACmethanesulfonyl chloride;trifluoromethanesulfonic acid
SMILESCS(=O)(=O)Cl.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/CH3ClO2S.CHF3O3S/c1-5(2,3)4;2-1(3,4)8(5,6)7/h1H3;(H,5,6,7)
InChIKeyCDCRCQXKOMUTDH-UHFFFAOYSA-N
MW264.63 g/mol
LogP0.58
Rot. Bonds

About methanesulfonyl chloride;trifluoromethanesulfonic acid

methanesulfonyl chloride;trifluoromethanesulfonic acid (PubChem CID 174263970) has the molecular formula C2H4ClF3O5S2 and a molecular weight of 264.63 g/mol. Its IUPAC name is methanesulfonyl chloride;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namemethanesulfonyl chloride;trifluoromethanesulfonic acid
PubChem CID174263970
Molecular FormulaC2H4ClF3O5S2
Molecular Weight264.63 g/mol
Exact Mass263.91
IUPAC Namemethanesulfonyl chloride;trifluoromethanesulfonic acid
SMILESCS(=O)(=O)Cl.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/CH3ClO2S.CHF3O3S/c1-5(2,3)4;2-1(3,4)8(5,6)7/h1H3;(H,5,6,7)
InChIKeyCDCRCQXKOMUTDH-UHFFFAOYSA-N
XLogP0.58
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_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
chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)
CID 162109712
CID 160972181
CID 160972181
trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane
CID 174796924
methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 159921608
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701

Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;trifluoromethanesulfonic acid?
The IUPAC name of methanesulfonyl chloride;trifluoromethanesulfonic acid (CID 174263970) is methanesulfonyl chloride;trifluoromethanesulfonic acid.
What is the SMILES notation for methanesulfonyl chloride;trifluoromethanesulfonic acid?
The canonical SMILES for methanesulfonyl chloride;trifluoromethanesulfonic acid is CS(=O)(=O)Cl.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of methanesulfonyl chloride;trifluoromethanesulfonic acid?
The InChIKey is CDCRCQXKOMUTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClO2S.CHF3O3S/c1-5(2,3)4;2-1(3,4)8(5,6)7/h1H3;(H,5,6,7).
What are the key properties of methanesulfonyl chloride;trifluoromethanesulfonic acid?
methanesulfonyl chloride;trifluoromethanesulfonic acid has a molecular weight of 264.63 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;trifluoromethanesulfonic acid is sourced from PubChem (CID 174263970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).