zinc cyclohexyloxymethanedithioic acid

C7H12OS2Zn+2 — CID 54608999

IUPACzinc cyclohexyloxymethanedithioic acid
SMILESS=C(S)OC1CCCCC1.[Zn+2]
InChIInChI=1S/C7H12OS2.Zn/c9-7(10)8-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10);/q;+2
InChIKeyWOKVYCXSDNKOTH-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.55
Rot. Bonds1

About zinc cyclohexyloxymethanedithioic acid

zinc cyclohexyloxymethanedithioic acid (PubChem CID 54608999) has the molecular formula C7H12OS2Zn+2 and a molecular weight of 241.70 g/mol. Its IUPAC name is zinc cyclohexyloxymethanedithioic acid.

Molecular Properties

Compound Namezinc cyclohexyloxymethanedithioic acid
PubChem CID54608999
Molecular FormulaC7H12OS2Zn+2
Molecular Weight241.70 g/mol
Exact Mass239.96
IUPAC Namezinc cyclohexyloxymethanedithioic acid
SMILESS=C(S)OC1CCCCC1.[Zn+2]
InChIInChI=1S/C7H12OS2.Zn/c9-7(10)8-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10);/q;+2
InChIKeyWOKVYCXSDNKOTH-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

carbamothioic S-acid;O-cyclohexyl carbamothioate
CID 174527740
potassium cyclodecyloxymethanedithioate
CID 157247255
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
cyclohexyl carbonochloridate;methane
CID 157322505
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclooctyl carbonochloridate;ethane
CID 144532416
cycloheptyl hydrogen carbonate
CID 23179405
cycloheptadecyl acetate
CID 57215828
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916

Frequently Asked Questions

What is the IUPAC name of zinc cyclohexyloxymethanedithioic acid?
The IUPAC name of zinc cyclohexyloxymethanedithioic acid (CID 54608999) is zinc cyclohexyloxymethanedithioic acid.
What is the SMILES notation for zinc cyclohexyloxymethanedithioic acid?
The canonical SMILES for zinc cyclohexyloxymethanedithioic acid is S=C(S)OC1CCCCC1.[Zn+2].
What is the InChIKey of zinc cyclohexyloxymethanedithioic acid?
The InChIKey is WOKVYCXSDNKOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS2.Zn/c9-7(10)8-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10);/q;+2.
What are the key properties of zinc cyclohexyloxymethanedithioic acid?
zinc cyclohexyloxymethanedithioic acid has a molecular weight of 241.70 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc cyclohexyloxymethanedithioic acid is sourced from PubChem (CID 54608999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).