potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride

C6H13KO4S3 — CID 173035090

IUPACpotassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride
SMILESCCOC(=S)SCCCS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C6H12O4S3.K.H/c1-2-10-6(11)12-4-3-5-13(7,8)9;;/h2-5H2,1H3,(H,7,8,9);;/q;+1;-1
InChIKeyRCQWLSCGUYOXHW-UHFFFAOYSA-N
MW284.46 g/mol
LogP-1.56
Rot. Bonds5

About potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride

potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride (PubChem CID 173035090) has the molecular formula C6H13KO4S3 and a molecular weight of 284.46 g/mol. Its IUPAC name is potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride
PubChem CID173035090
Molecular FormulaC6H13KO4S3
Molecular Weight284.46 g/mol
Exact Mass283.96
IUPAC Namepotassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride
SMILESCCOC(=S)SCCCS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C6H12O4S3.K.H/c1-2-10-6(11)12-4-3-5-13(7,8)9;;/h2-5H2,1H3,(H,7,8,9);;/q;+1;-1
InChIKeyRCQWLSCGUYOXHW-UHFFFAOYSA-N
XLogP-1.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride?
The IUPAC name of potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride (CID 173035090) is potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride.
What is the SMILES notation for potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride?
The canonical SMILES for potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride is CCOC(=S)SCCCS(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride?
The InChIKey is RCQWLSCGUYOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S3.K.H/c1-2-10-6(11)12-4-3-5-13(7,8)9;;/h2-5H2,1H3,(H,7,8,9);;/q;+1;-1.
What are the key properties of potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride?
potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride has a molecular weight of 284.46 g/mol, XLogP of -1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-ethoxycarbothioylsulfanylpropane-1-sulfonic acid;hydride is sourced from PubChem (CID 173035090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).