zinc;ethane;dicarbamothioate

C6H16N2O2S2Zn — CID 173004155

IUPACzinc;ethane;dicarbamothioate
SMILESCC.CC.NC(=O)[S-].NC(=O)[S-].[Zn+2]
InChIInChI=1S/2C2H6.2CH3NOS.Zn/c2*1-2;2*2-1(3)4;/h2*1-2H3;2*(H3,2,3,4);/q;;;;+2/p-2
InChIKeyRCZUSHLBCODQLX-UHFFFAOYSA-L
MW277.73 g/mol
LogP1.27
Rot. Bonds

About zinc;ethane;dicarbamothioate

zinc;ethane;dicarbamothioate (PubChem CID 173004155) has the molecular formula C6H16N2O2S2Zn and a molecular weight of 277.73 g/mol. Its IUPAC name is zinc;ethane;dicarbamothioate.

Molecular Properties

Compound Namezinc;ethane;dicarbamothioate
PubChem CID173004155
Molecular FormulaC6H16N2O2S2Zn
Molecular Weight277.73 g/mol
Exact Mass275.99
IUPAC Namezinc;ethane;dicarbamothioate
SMILESCC.CC.NC(=O)[S-].NC(=O)[S-].[Zn+2]
InChIInChI=1S/2C2H6.2CH3NOS.Zn/c2*1-2;2*2-1(3)4;/h2*1-2H3;2*(H3,2,3,4);/q;;;;+2/p-2
InChIKeyRCZUSHLBCODQLX-UHFFFAOYSA-L
XLogP1.27
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 636363
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Frequently Asked Questions

What is the IUPAC name of zinc;ethane;dicarbamothioate?
The IUPAC name of zinc;ethane;dicarbamothioate (CID 173004155) is zinc;ethane;dicarbamothioate.
What is the SMILES notation for zinc;ethane;dicarbamothioate?
The canonical SMILES for zinc;ethane;dicarbamothioate is CC.CC.NC(=O)[S-].NC(=O)[S-].[Zn+2].
What is the InChIKey of zinc;ethane;dicarbamothioate?
The InChIKey is RCZUSHLBCODQLX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6.2CH3NOS.Zn/c2*1-2;2*2-1(3)4;/h2*1-2H3;2*(H3,2,3,4);/q;;;;+2/p-2.
What are the key properties of zinc;ethane;dicarbamothioate?
zinc;ethane;dicarbamothioate has a molecular weight of 277.73 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;dicarbamothioate is sourced from PubChem (CID 173004155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).