zinc bis(N-methylcarbamodithioate)

C4H8N2S4Zn — CID 13488601

IUPACzinc bis(N-methylcarbamodithioate)
SMILESCNC(=S)[S-].CNC(=S)[S-].[Zn+2]
InChIInChI=1S/2C2H5NS2.Zn/c2*1-3-2(4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2
InChIKeyHZFSIJCQPSIJHB-UHFFFAOYSA-L
MW277.78 g/mol
LogP0.07
Rot. Bonds

About zinc bis(N-methylcarbamodithioate)

zinc bis(N-methylcarbamodithioate) (PubChem CID 13488601) has the molecular formula C4H8N2S4Zn and a molecular weight of 277.78 g/mol. Its IUPAC name is zinc bis(N-methylcarbamodithioate).

Molecular Properties

Compound Namezinc bis(N-methylcarbamodithioate)
PubChem CID13488601
Molecular FormulaC4H8N2S4Zn
Molecular Weight277.78 g/mol
Exact Mass275.89
IUPAC Namezinc bis(N-methylcarbamodithioate)
SMILESCNC(=S)[S-].CNC(=S)[S-].[Zn+2]
InChIInChI=1S/2C2H5NS2.Zn/c2*1-3-2(4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2
InChIKeyHZFSIJCQPSIJHB-UHFFFAOYSA-L
XLogP0.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(N-methylcarbamodithioate)?
The IUPAC name of zinc bis(N-methylcarbamodithioate) (CID 13488601) is zinc bis(N-methylcarbamodithioate).
What is the SMILES notation for zinc bis(N-methylcarbamodithioate)?
The canonical SMILES for zinc bis(N-methylcarbamodithioate) is CNC(=S)[S-].CNC(=S)[S-].[Zn+2].
What is the InChIKey of zinc bis(N-methylcarbamodithioate)?
The InChIKey is HZFSIJCQPSIJHB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H5NS2.Zn/c2*1-3-2(4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2.
What are the key properties of zinc bis(N-methylcarbamodithioate)?
zinc bis(N-methylcarbamodithioate) has a molecular weight of 277.78 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(N-methylcarbamodithioate) is sourced from PubChem (CID 13488601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).