amino methanedithioate;zinc

CH3NS2Zn — CID 174337871

IUPACamino methanedithioate;zinc
SMILESNSC=S.[Zn]
InChIInChI=1S/CH3NS2.Zn/c2-4-1-3;/h1H,2H2;
InChIKeyKGOWBINQSLVGOH-UHFFFAOYSA-N
MW158.57 g/mol
LogP0.55
Rot. Bonds1

About amino methanedithioate;zinc

amino methanedithioate;zinc (PubChem CID 174337871) has the molecular formula CH3NS2Zn and a molecular weight of 158.57 g/mol. Its IUPAC name is amino methanedithioate;zinc.

Molecular Properties

Compound Nameamino methanedithioate;zinc
PubChem CID174337871
Molecular FormulaCH3NS2Zn
Molecular Weight158.57 g/mol
Exact Mass156.90
IUPAC Nameamino methanedithioate;zinc
SMILESNSC=S.[Zn]
InChIInChI=1S/CH3NS2.Zn/c2-4-1-3;/h1H,2H2;
InChIKeyKGOWBINQSLVGOH-UHFFFAOYSA-N
XLogP0.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.57
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze amino methanedithioate;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of amino methanedithioate;zinc?
The IUPAC name of amino methanedithioate;zinc (CID 174337871) is amino methanedithioate;zinc.
What is the SMILES notation for amino methanedithioate;zinc?
The canonical SMILES for amino methanedithioate;zinc is NSC=S.[Zn].
What is the InChIKey of amino methanedithioate;zinc?
The InChIKey is KGOWBINQSLVGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.Zn/c2-4-1-3;/h1H,2H2;.
What are the key properties of amino methanedithioate;zinc?
amino methanedithioate;zinc has a molecular weight of 158.57 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino methanedithioate;zinc is sourced from PubChem (CID 174337871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).