methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol

C6H11F5O3S2 — CID 175260214

IUPACmethanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol
SMILESCS(=O)(=O)O.FCC(F)C(F)C(F)C(F)S
InChIInChI=1S/C5H7F5S.CH4O3S/c6-1-2(7)3(8)4(9)5(10)11;1-5(2,3)4/h2-5,11H,1H2;1H3,(H,2,3,4)
InChIKeyWABKYKZMBOQXKN-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.70
Rot. Bonds4

About methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol

methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol (PubChem CID 175260214) has the molecular formula C6H11F5O3S2 and a molecular weight of 290.28 g/mol. Its IUPAC name is methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol.

Molecular Properties

Compound Namemethanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol
PubChem CID175260214
Molecular FormulaC6H11F5O3S2
Molecular Weight290.28 g/mol
Exact Mass290.01
IUPAC Namemethanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol
SMILESCS(=O)(=O)O.FCC(F)C(F)C(F)C(F)S
InChIInChI=1S/C5H7F5S.CH4O3S/c6-1-2(7)3(8)4(9)5(10)11;1-5(2,3)4/h2-5,11H,1H2;1H3,(H,2,3,4)
InChIKeyWABKYKZMBOQXKN-UHFFFAOYSA-N
XLogP1.70
TPSA54.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.70
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

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methanesulfonic acid;methanetriol
CID 174918384
methanesulfonic acid;methylsulfanylmethane
CID 174896398
sodium;hydride;1,2,3,4,5-pentafluoropentan-1-ol
CID 175062785
CID 87129852
CID 87129852
hydron;methanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol?
The IUPAC name of methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol (CID 175260214) is methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol.
What is the SMILES notation for methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol?
The canonical SMILES for methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol is CS(=O)(=O)O.FCC(F)C(F)C(F)C(F)S.
What is the InChIKey of methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol?
The InChIKey is WABKYKZMBOQXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5S.CH4O3S/c6-1-2(7)3(8)4(9)5(10)11;1-5(2,3)4/h2-5,11H,1H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol?
methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol has a molecular weight of 290.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol is sourced from PubChem (CID 175260214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).