fluoro(sulfanyl)methanesulfonic acid

CH3FO3S2 — CID 175256377

IUPACfluoro(sulfanyl)methanesulfonic acid
SMILESO=S(=O)(O)C(F)S
InChIInChI=1S/CH3FO3S2/c2-1(6)7(3,4)5/h1,6H,(H,3,4,5)
InChIKeyXYBHWULGSNNEBX-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.06
Rot. Bonds1

About fluoro(sulfanyl)methanesulfonic acid

fluoro(sulfanyl)methanesulfonic acid (PubChem CID 175256377) has the molecular formula CH3FO3S2 and a molecular weight of 146.16 g/mol. Its IUPAC name is fluoro(sulfanyl)methanesulfonic acid.

Molecular Properties

Compound Namefluoro(sulfanyl)methanesulfonic acid
PubChem CID175256377
Molecular FormulaCH3FO3S2
Molecular Weight146.16 g/mol
Exact Mass145.95
IUPAC Namefluoro(sulfanyl)methanesulfonic acid
SMILESO=S(=O)(O)C(F)S
InChIInChI=1S/CH3FO3S2/c2-1(6)7(3,4)5/h1,6H,(H,3,4,5)
InChIKeyXYBHWULGSNNEBX-UHFFFAOYSA-N
XLogP0.06
TPSA54.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper;difluoromethanesulfonic acid
CID 174361368
1,3-dihydroxy-1-sulfanylpropane-2-sulfonic acid
CID 142735385
1-bromo-2,2-difluoroethanesulfonic acid
CID 174255569
1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride
CID 174839844
1-fluoro-2-hydroxypropane-1-sulfonic acid
CID 149010434
propane-1,3-diol;bis(1,2,2,2-tetrafluoroethanesulfonic acid)
CID 87127924
2-hydroxyethane-1,1-disulfonic acid
CID 18781737
1,1-difluoroethane;sulfurochloridic acid
CID 161235804
methanesulfonic acid;1-sulfanylethanol
CID 174795676
bis(1,2-difluoroethanesulfonic acid);propane-1,2-diol
CID 87127958
sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride
CID 174385432
sodium 2-fluoro-2-sulfoacetate
CID 141149406

Frequently Asked Questions

What is the IUPAC name of fluoro(sulfanyl)methanesulfonic acid?
The IUPAC name of fluoro(sulfanyl)methanesulfonic acid (CID 175256377) is fluoro(sulfanyl)methanesulfonic acid.
What is the SMILES notation for fluoro(sulfanyl)methanesulfonic acid?
The canonical SMILES for fluoro(sulfanyl)methanesulfonic acid is O=S(=O)(O)C(F)S.
What is the InChIKey of fluoro(sulfanyl)methanesulfonic acid?
The InChIKey is XYBHWULGSNNEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3FO3S2/c2-1(6)7(3,4)5/h1,6H,(H,3,4,5).
What are the key properties of fluoro(sulfanyl)methanesulfonic acid?
fluoro(sulfanyl)methanesulfonic acid has a molecular weight of 146.16 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(sulfanyl)methanesulfonic acid is sourced from PubChem (CID 175256377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).