(dibutylamino)carbamodithioic acid;zinc

C9H20N2S2Zn — CID 174752892

IUPAC(dibutylamino)carbamodithioic acid;zinc
SMILESCCCCN(CCCC)NC(=S)S.[Zn]
InChIInChI=1S/C9H20N2S2.Zn/c1-3-5-7-11(8-6-4-2)10-9(12)13;/h3-8H2,1-2H3,(H2,10,12,13);
InChIKeyREIOJIWXFOVFDF-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.61
Rot. Bonds7

About (dibutylamino)carbamodithioic acid;zinc

(dibutylamino)carbamodithioic acid;zinc (PubChem CID 174752892) has the molecular formula C9H20N2S2Zn and a molecular weight of 285.80 g/mol. Its IUPAC name is (dibutylamino)carbamodithioic acid;zinc.

Molecular Properties

Compound Name(dibutylamino)carbamodithioic acid;zinc
PubChem CID174752892
Molecular FormulaC9H20N2S2Zn
Molecular Weight285.80 g/mol
Exact Mass284.04
IUPAC Name(dibutylamino)carbamodithioic acid;zinc
SMILESCCCCN(CCCC)NC(=S)S.[Zn]
InChIInChI=1S/C9H20N2S2.Zn/c1-3-5-7-11(8-6-4-2)10-9(12)13;/h3-8H2,1-2H3,(H2,10,12,13);
InChIKeyREIOJIWXFOVFDF-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

zinc bis(N-(dibutylamino)carbamodithioate)
CID 160359415
(Dibutylamino)carbamodithioic acid
CID 160359416
(Dipentylamino)carbamodithioic acid
CID 158653058

Frequently Asked Questions

What is the IUPAC name of (dibutylamino)carbamodithioic acid;zinc?
The IUPAC name of (dibutylamino)carbamodithioic acid;zinc (CID 174752892) is (dibutylamino)carbamodithioic acid;zinc.
What is the SMILES notation for (dibutylamino)carbamodithioic acid;zinc?
The canonical SMILES for (dibutylamino)carbamodithioic acid;zinc is CCCCN(CCCC)NC(=S)S.[Zn].
What is the InChIKey of (dibutylamino)carbamodithioic acid;zinc?
The InChIKey is REIOJIWXFOVFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S2.Zn/c1-3-5-7-11(8-6-4-2)10-9(12)13;/h3-8H2,1-2H3,(H2,10,12,13);.
What are the key properties of (dibutylamino)carbamodithioic acid;zinc?
(dibutylamino)carbamodithioic acid;zinc has a molecular weight of 285.80 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dibutylamino)carbamodithioic acid;zinc is sourced from PubChem (CID 174752892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).