dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate

C5H8F6O3S2 — CID 161156504

IUPACdimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
SMILESC[SH+]C.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C3H2F6O3S.C2H6S/c4-1(2(5,6)7)3(8,9)13(10,11)12;1-3-2/h1H,(H,10,11,12);1-2H3
InChIKeyUPJASGYTCATISO-UHFFFAOYSA-N
MW294.24 g/mol
LogP1.09
Rot. Bonds2

About dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate

dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate (PubChem CID 161156504) has the molecular formula C5H8F6O3S2 and a molecular weight of 294.24 g/mol. Its IUPAC name is dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate.

Molecular Properties

Compound Namedimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
PubChem CID161156504
Molecular FormulaC5H8F6O3S2
Molecular Weight294.24 g/mol
Exact Mass293.98
IUPAC Namedimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
SMILESC[SH+]C.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C3H2F6O3S.C2H6S/c4-1(2(5,6)7)3(8,9)13(10,11)12;1-3-2/h1H,(H,10,11,12);1-2H3
InChIKeyUPJASGYTCATISO-UHFFFAOYSA-N
XLogP1.09
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
1,1,2,3,3,3-hexafluoropropane-1-sulfonate;(4-methylphenyl)-phenyliodanium
CID 22625512
1-ethyl-3-methylimidazol-3-ium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
CID 87285145
1,1,2,3,3-pentafluoropropane-1-sulfonate
CID 58298540
potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate
CID 141492476
potassium 1,1,2,3,3,3-hexafluoropropylsulfonylazanide
CID 173133897
fluoromethanetrisulfonate
CID 59641509
bismuth tris(2-cyano-1,1,2-trifluoroethanesulfonate)
CID 173339741
dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-docosafluoroundecane-1-sulfonate
CID 141492620
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluorooctane-1-sulfonate
CID 141492086
lithium 1,1,2-trifluorohexane-1-sulfonate
CID 122481658
phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate
CID 87619719

Frequently Asked Questions

What is the IUPAC name of dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate?
The IUPAC name of dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate (CID 161156504) is dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate.
What is the SMILES notation for dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate?
The canonical SMILES for dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate is C[SH+]C.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate?
The InChIKey is UPJASGYTCATISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O3S.C2H6S/c4-1(2(5,6)7)3(8,9)13(10,11)12;1-3-2/h1H,(H,10,11,12);1-2H3.
What are the key properties of dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate?
dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate has a molecular weight of 294.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate is sourced from PubChem (CID 161156504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).