zinc bis(tetrathiolane-5-carboxylate)

C4H2O4S8Zn — CID 172719003

IUPACzinc bis(tetrathiolane-5-carboxylate)
SMILESO=C([O-])C1SSSS1.O=C([O-])C1SSSS1.[Zn+2]
InChIInChI=1S/2C2H2O2S4.Zn/c2*3-1(4)2-5-7-8-6-2;/h2*2H,(H,3,4);/q;;+2/p-2
InChIKeyGGCDJKUVYWVROK-UHFFFAOYSA-L
MW435.98 g/mol
LogP1.51
Rot. Bonds2

About zinc bis(tetrathiolane-5-carboxylate)

zinc bis(tetrathiolane-5-carboxylate) (PubChem CID 172719003) has the molecular formula C4H2O4S8Zn and a molecular weight of 435.98 g/mol. Its IUPAC name is zinc bis(tetrathiolane-5-carboxylate).

Molecular Properties

Compound Namezinc bis(tetrathiolane-5-carboxylate)
PubChem CID172719003
Molecular FormulaC4H2O4S8Zn
Molecular Weight435.98 g/mol
Exact Mass433.70
IUPAC Namezinc bis(tetrathiolane-5-carboxylate)
SMILESO=C([O-])C1SSSS1.O=C([O-])C1SSSS1.[Zn+2]
InChIInChI=1S/2C2H2O2S4.Zn/c2*3-1(4)2-5-7-8-6-2;/h2*2H,(H,3,4);/q;;+2/p-2
InChIKeyGGCDJKUVYWVROK-UHFFFAOYSA-L
XLogP1.51
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.98
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

1,3,5,7-tetrathiocane-2-carboxylate
CID 5046220
bismuth;zinc;carbonate
CID 18938595
zinc;azane;carbonate
CID 14029939
aluminum;zinc;carbonate
CID 162187008
dipotassium;zinc;oxalate
CID 173075091
oxalate;rhodium(2+)
CID 22015935
formaldehyde;molybdenum;tricarbonate
CID 19825551
trialuminum;trizinc;pentacarbonate;pentahydroxide
CID 173493328
zinc;oxalate;hexahydrate
CID 175037581
dizinc sulfidoformate
CID 21464809
zinc;hydrogen carbonate;chloride
CID 146216563
zinc;zinc;carbonate;dihydrate
CID 11310663

Frequently Asked Questions

What is the IUPAC name of zinc bis(tetrathiolane-5-carboxylate)?
The IUPAC name of zinc bis(tetrathiolane-5-carboxylate) (CID 172719003) is zinc bis(tetrathiolane-5-carboxylate).
What is the SMILES notation for zinc bis(tetrathiolane-5-carboxylate)?
The canonical SMILES for zinc bis(tetrathiolane-5-carboxylate) is O=C([O-])C1SSSS1.O=C([O-])C1SSSS1.[Zn+2].
What is the InChIKey of zinc bis(tetrathiolane-5-carboxylate)?
The InChIKey is GGCDJKUVYWVROK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H2O2S4.Zn/c2*3-1(4)2-5-7-8-6-2;/h2*2H,(H,3,4);/q;;+2/p-2.
What are the key properties of zinc bis(tetrathiolane-5-carboxylate)?
zinc bis(tetrathiolane-5-carboxylate) has a molecular weight of 435.98 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(tetrathiolane-5-carboxylate) is sourced from PubChem (CID 172719003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).