potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide

C13H25KO11S4 — CID 158408726

IUPACpotassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide
SMILESCS(=O)(=O)OC1CCS(=O)(=O)C1.O=S1(=O)CC=CC1.O=S1(=O)CCC(O)C1.[K+].[OH-]
InChIInChI=1S/C5H10O5S2.C4H8O3S.C4H6O2S.K.H2O/c1-11(6,7)10-5-2-3-12(8,9)4-5;5-4-1-2-8(6,7)3-4;5-7(6)3-1-2-4-7;;/h5H,2-4H2,1H3;4-5H,1-3H2;1-2H,3-4H2;;1H2/q;;;+1;/p-1
InChIKeyGZALMUJEPKDVDS-UHFFFAOYSA-M
MW524.70 g/mol
LogP-4.89
Rot. Bonds2

About potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide

potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide (PubChem CID 158408726) has the molecular formula C13H25KO11S4 and a molecular weight of 524.70 g/mol. Its IUPAC name is potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide.

Molecular Properties

Compound Namepotassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide
PubChem CID158408726
Molecular FormulaC13H25KO11S4
Molecular Weight524.70 g/mol
Exact Mass523.99
IUPAC Namepotassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide
SMILESCS(=O)(=O)OC1CCS(=O)(=O)C1.O=S1(=O)CC=CC1.O=S1(=O)CCC(O)C1.[K+].[OH-]
InChIInChI=1S/C5H10O5S2.C4H8O3S.C4H6O2S.K.H2O/c1-11(6,7)10-5-2-3-12(8,9)4-5;5-4-1-2-8(6,7)3-4;5-7(6)3-1-2-4-7;;/h5H,2-4H2,1H3;4-5H,1-3H2;1-2H,3-4H2;;1H2/q;;;+1;/p-1
InChIKeyGZALMUJEPKDVDS-UHFFFAOYSA-M
XLogP-4.89
TPSA196.02 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 5-4.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-1,1-dioxothiolan-3-yl] sulfate
CID 7058872
(1,1-dioxothiolan-3-yl) ethenesulfonate
CID 155217659
(1,1-dioxothiolan-3-yl) N-amino-N-methylsulfonylcarbamate
CID 167046402
bis(1,1-dioxothiolan-3-yl) carbonate
CID 2835679
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911
3-but-2-en-2-yloxythiolane 1,1-dioxide
CID 70631356
[(3S,4S)-4-methyl-1,1-dioxothiolan-3-yl] methanesulfonate
CID 7039170
(4-methyl-1,1-dioxothiolan-3-yl) methanesulfonate
CID 3098774
potassium N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate
CID 2772232
(1,1-dioxothiolan-3-yl) prop-2-enoate
CID 54012913
(3R)-3-propoxythiolane 1,1-dioxide
CID 51410713
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067

Frequently Asked Questions

What is the IUPAC name of potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide?
The IUPAC name of potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide (CID 158408726) is potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide.
What is the SMILES notation for potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide?
The canonical SMILES for potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide is CS(=O)(=O)OC1CCS(=O)(=O)C1.O=S1(=O)CC=CC1.O=S1(=O)CCC(O)C1.[K+].[OH-].
What is the InChIKey of potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide?
The InChIKey is GZALMUJEPKDVDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O5S2.C4H8O3S.C4H6O2S.K.H2O/c1-11(6,7)10-5-2-3-12(8,9)4-5;5-4-1-2-8(6,7)3-4;5-7(6)3-1-2-4-7;;/h5H,2-4H2,1H3;4-5H,1-3H2;1-2H,3-4H2;;1H2/q;;;+1;/p-1.
What are the key properties of potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide?
potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide has a molecular weight of 524.70 g/mol, XLogP of -4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,5-dihydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-ol;(1,1-dioxothiolan-3-yl) methanesulfonate;hydroxide is sourced from PubChem (CID 158408726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).