copper;methylcarbamothioic S-acid

C2H5CuNOS — CID 161427442

IUPACcopper;methylcarbamothioic S-acid
SMILESCNC(=O)S.[Cu]
InChIInChI=1S/C2H5NOS.Cu/c1-3-2(4)5;/h1H3,(H2,3,4,5);
InChIKeyVXOATRQMTZRFFK-UHFFFAOYSA-N
MW154.68 g/mol
LogP0.25
Rot. Bonds

About copper;methylcarbamothioic S-acid

copper;methylcarbamothioic S-acid (PubChem CID 161427442) has the molecular formula C2H5CuNOS and a molecular weight of 154.68 g/mol. Its IUPAC name is copper;methylcarbamothioic S-acid.

Molecular Properties

Compound Namecopper;methylcarbamothioic S-acid
PubChem CID161427442
Molecular FormulaC2H5CuNOS
Molecular Weight154.68 g/mol
Exact Mass153.94
IUPAC Namecopper;methylcarbamothioic S-acid
SMILESCNC(=O)S.[Cu]
InChIInChI=1S/C2H5NOS.Cu/c1-3-2(4)5;/h1H3,(H2,3,4,5);
InChIKeyVXOATRQMTZRFFK-UHFFFAOYSA-N
XLogP0.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.68
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;methylcarbamothioic S-acid?
The IUPAC name of copper;methylcarbamothioic S-acid (CID 161427442) is copper;methylcarbamothioic S-acid.
What is the SMILES notation for copper;methylcarbamothioic S-acid?
The canonical SMILES for copper;methylcarbamothioic S-acid is CNC(=O)S.[Cu].
What is the InChIKey of copper;methylcarbamothioic S-acid?
The InChIKey is VXOATRQMTZRFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NOS.Cu/c1-3-2(4)5;/h1H3,(H2,3,4,5);.
What are the key properties of copper;methylcarbamothioic S-acid?
copper;methylcarbamothioic S-acid has a molecular weight of 154.68 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methylcarbamothioic S-acid is sourced from PubChem (CID 161427442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).