potassium 2-hexoxyethoxymethanedithioate

C9H17KO2S2 — CID 141427430

IUPACpotassium 2-hexoxyethoxymethanedithioate
SMILESCCCCCCOCCOC(=S)[S-].[K+]
InChIInChI=1S/C9H18O2S2.K/c1-2-3-4-5-6-10-7-8-11-9(12)13;/h2-8H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyBCZVQRHSSBDFSZ-UHFFFAOYSA-M
MW260.46 g/mol
LogP-0.56
Rot. Bonds8

About potassium 2-hexoxyethoxymethanedithioate

potassium 2-hexoxyethoxymethanedithioate (PubChem CID 141427430) has the molecular formula C9H17KO2S2 and a molecular weight of 260.46 g/mol. Its IUPAC name is potassium 2-hexoxyethoxymethanedithioate.

Molecular Properties

Compound Namepotassium 2-hexoxyethoxymethanedithioate
PubChem CID141427430
Molecular FormulaC9H17KO2S2
Molecular Weight260.46 g/mol
Exact Mass260.03
IUPAC Namepotassium 2-hexoxyethoxymethanedithioate
SMILESCCCCCCOCCOC(=S)[S-].[K+]
InChIInChI=1S/C9H18O2S2.K/c1-2-3-4-5-6-10-7-8-11-9(12)13;/h2-8H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyBCZVQRHSSBDFSZ-UHFFFAOYSA-M
XLogP-0.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.46
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

nickel(2+);bis(pentoxymethanedithioate)
CID 14619578
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
potassium N-dodecyl-N-[2-(2-hexoxyethoxy)ethyl]carbamodithioate
CID 102382114
bis(butoxymethanedithioate);palladium(2+)
CID 141393221

Frequently Asked Questions

What is the IUPAC name of potassium 2-hexoxyethoxymethanedithioate?
The IUPAC name of potassium 2-hexoxyethoxymethanedithioate (CID 141427430) is potassium 2-hexoxyethoxymethanedithioate.
What is the SMILES notation for potassium 2-hexoxyethoxymethanedithioate?
The canonical SMILES for potassium 2-hexoxyethoxymethanedithioate is CCCCCCOCCOC(=S)[S-].[K+].
What is the InChIKey of potassium 2-hexoxyethoxymethanedithioate?
The InChIKey is BCZVQRHSSBDFSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18O2S2.K/c1-2-3-4-5-6-10-7-8-11-9(12)13;/h2-8H2,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-hexoxyethoxymethanedithioate?
potassium 2-hexoxyethoxymethanedithioate has a molecular weight of 260.46 g/mol, XLogP of -0.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hexoxyethoxymethanedithioate is sourced from PubChem (CID 141427430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).