potassium cyclodecyloxymethanedithioate

C11H19KOS2 — CID 157247255

IUPACpotassium cyclodecyloxymethanedithioate
SMILESS=C([S-])OC1CCCCCCCCC1.[K+]
InChIInChI=1S/C11H20OS2.K/c13-11(14)12-10-8-6-4-2-1-3-5-7-9-10;/h10H,1-9H2,(H,13,14);/q;+1/p-1
InChIKeySAQHWPBRKSCHKF-UHFFFAOYSA-M
MW270.50 g/mol
LogP0.73
Rot. Bonds1

About potassium cyclodecyloxymethanedithioate

potassium cyclodecyloxymethanedithioate (PubChem CID 157247255) has the molecular formula C11H19KOS2 and a molecular weight of 270.50 g/mol. Its IUPAC name is potassium cyclodecyloxymethanedithioate.

Molecular Properties

Compound Namepotassium cyclodecyloxymethanedithioate
PubChem CID157247255
Molecular FormulaC11H19KOS2
Molecular Weight270.50 g/mol
Exact Mass270.05
IUPAC Namepotassium cyclodecyloxymethanedithioate
SMILESS=C([S-])OC1CCCCCCCCC1.[K+]
InChIInChI=1S/C11H20OS2.K/c13-11(14)12-10-8-6-4-2-1-3-5-7-9-10;/h10H,1-9H2,(H,13,14);/q;+1/p-1
InChIKeySAQHWPBRKSCHKF-UHFFFAOYSA-M
XLogP0.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc cyclohexyloxymethanedithioic acid
CID 54608999
potassium cyclohexylmethoxymethanedithioate
CID 143816375
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclooctyl cyclooctanecarboxylate
CID 57160377
carbamothioic S-acid;O-cyclohexyl carbamothioate
CID 174527740
cyclohexyl 6-cyclohexyloxy-6-sulfanylidenehexanoate
CID 155253391
cycloheptyl hydrogen carbonate
CID 23179405
cycloheptadecyl acetate
CID 57215828
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148

Frequently Asked Questions

What is the IUPAC name of potassium cyclodecyloxymethanedithioate?
The IUPAC name of potassium cyclodecyloxymethanedithioate (CID 157247255) is potassium cyclodecyloxymethanedithioate.
What is the SMILES notation for potassium cyclodecyloxymethanedithioate?
The canonical SMILES for potassium cyclodecyloxymethanedithioate is S=C([S-])OC1CCCCCCCCC1.[K+].
What is the InChIKey of potassium cyclodecyloxymethanedithioate?
The InChIKey is SAQHWPBRKSCHKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20OS2.K/c13-11(14)12-10-8-6-4-2-1-3-5-7-9-10;/h10H,1-9H2,(H,13,14);/q;+1/p-1.
What are the key properties of potassium cyclodecyloxymethanedithioate?
potassium cyclodecyloxymethanedithioate has a molecular weight of 270.50 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyclodecyloxymethanedithioate is sourced from PubChem (CID 157247255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).