(pentafluoro-λ6-sulfanyl) ethanesulfonate

C2H5F5O3S2 — CID 140567014

IUPAC(pentafluoro-λ6-sulfanyl) ethanesulfonate
SMILESCCS(=O)(=O)OS(F)(F)(F)(F)F
InChIInChI=1S/C2H5F5O3S2/c1-2-11(8,9)10-12(3,4,5,6)7/h2H2,1H3
InChIKeyJQGNQRVZJSTJHE-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.57
Rot. Bonds3

About (pentafluoro-λ6-sulfanyl) ethanesulfonate

(pentafluoro-λ6-sulfanyl) ethanesulfonate (PubChem CID 140567014) has the molecular formula C2H5F5O3S2 and a molecular weight of 236.18 g/mol. Its IUPAC name is (pentafluoro-λ6-sulfanyl) ethanesulfonate.

Molecular Properties

Compound Name(pentafluoro-λ6-sulfanyl) ethanesulfonate
PubChem CID140567014
Molecular FormulaC2H5F5O3S2
Molecular Weight236.18 g/mol
Exact Mass235.96
IUPAC Name(pentafluoro-λ6-sulfanyl) ethanesulfonate
SMILESCCS(=O)(=O)OS(F)(F)(F)(F)F
InChIInChI=1S/C2H5F5O3S2/c1-2-11(8,9)10-12(3,4,5,6)7/h2H2,1H3
InChIKeyJQGNQRVZJSTJHE-UHFFFAOYSA-N
XLogP2.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanesulfonyl fluoride
CID 522584
2-(Pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 14508339
1,2-Ethanedisulfonyl difluoride
CID 20036132
Ethane-1,1-disulfonyl fluoride
CID 15579786
Propane-1,2-disulfonyl fluoride
CID 87247519
1-(Pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 87375088
Ethylsulfonyl thiohypofluorite
CID 89078161
2-Fluorosulfonylethyl thiohypofluorite
CID 117849149
1-Fluoroethane-1-sulfonyl fluoride
CID 165981837
Methyl 2-(trifluoro-lambda4-sulfanyl)ethanesulfonate
CID 170264462
Propane-1,1-disulfonyl fluoride
CID 174719568
Difluoro(methylsulfanyl)sulfanium;fluoro ethanesulfonate
CID 88235234

Frequently Asked Questions

What is the IUPAC name of (pentafluoro-λ6-sulfanyl) ethanesulfonate?
The IUPAC name of (pentafluoro-λ6-sulfanyl) ethanesulfonate (CID 140567014) is (pentafluoro-λ6-sulfanyl) ethanesulfonate.
What is the SMILES notation for (pentafluoro-λ6-sulfanyl) ethanesulfonate?
The canonical SMILES for (pentafluoro-λ6-sulfanyl) ethanesulfonate is CCS(=O)(=O)OS(F)(F)(F)(F)F.
What is the InChIKey of (pentafluoro-λ6-sulfanyl) ethanesulfonate?
The InChIKey is JQGNQRVZJSTJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F5O3S2/c1-2-11(8,9)10-12(3,4,5,6)7/h2H2,1H3.
What are the key properties of (pentafluoro-λ6-sulfanyl) ethanesulfonate?
(pentafluoro-λ6-sulfanyl) ethanesulfonate has a molecular weight of 236.18 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (pentafluoro-λ6-sulfanyl) ethanesulfonate is sourced from PubChem (CID 140567014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).