dimethylcarbamodithioic acid;iron(2+)

C3H7FeNS2+2 — CID 23619204

IUPACdimethylcarbamodithioic acid;iron(2+)
SMILESCN(C)C(=S)S.[Fe+2]
InChIInChI=1S/C3H7NS2.Fe/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+2
InChIKeyAIUMEUVGYGVMHU-UHFFFAOYSA-N
MW177.07 g/mol
LogP0.76
Rot. Bonds

About dimethylcarbamodithioic acid;iron(2+)

dimethylcarbamodithioic acid;iron(2+) (PubChem CID 23619204) has the molecular formula C3H7FeNS2+2 and a molecular weight of 177.07 g/mol. Its IUPAC name is dimethylcarbamodithioic acid;iron(2+).

Molecular Properties

Compound Namedimethylcarbamodithioic acid;iron(2+)
PubChem CID23619204
Molecular FormulaC3H7FeNS2+2
Molecular Weight177.07 g/mol
Exact Mass176.94
IUPAC Namedimethylcarbamodithioic acid;iron(2+)
SMILESCN(C)C(=S)S.[Fe+2]
InChIInChI=1S/C3H7NS2.Fe/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+2
InChIKeyAIUMEUVGYGVMHU-UHFFFAOYSA-N
XLogP0.76
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of dimethylcarbamodithioic acid;iron(2+)?
The IUPAC name of dimethylcarbamodithioic acid;iron(2+) (CID 23619204) is dimethylcarbamodithioic acid;iron(2+).
What is the SMILES notation for dimethylcarbamodithioic acid;iron(2+)?
The canonical SMILES for dimethylcarbamodithioic acid;iron(2+) is CN(C)C(=S)S.[Fe+2].
What is the InChIKey of dimethylcarbamodithioic acid;iron(2+)?
The InChIKey is AIUMEUVGYGVMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.Fe/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+2.
What are the key properties of dimethylcarbamodithioic acid;iron(2+)?
dimethylcarbamodithioic acid;iron(2+) has a molecular weight of 177.07 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamodithioic acid;iron(2+) is sourced from PubChem (CID 23619204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).