diethylcarbamodithioic acid;lanthanum

C5H11LaNS2 — CID 174709287

IUPACdiethylcarbamodithioic acid;lanthanum
SMILESCCN(CC)C(=S)S.[La]
InChIInChI=1S/C5H11NS2.La/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);
InChIKeyDXHJSOZNJNLAQC-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.54
Rot. Bonds2

About diethylcarbamodithioic acid;lanthanum

diethylcarbamodithioic acid;lanthanum (PubChem CID 174709287) has the molecular formula C5H11LaNS2 and a molecular weight of 288.19 g/mol. Its IUPAC name is diethylcarbamodithioic acid;lanthanum.

Molecular Properties

Compound Namediethylcarbamodithioic acid;lanthanum
PubChem CID174709287
Molecular FormulaC5H11LaNS2
Molecular Weight288.19 g/mol
Exact Mass287.94
IUPAC Namediethylcarbamodithioic acid;lanthanum
SMILESCCN(CC)C(=S)S.[La]
InChIInChI=1S/C5H11NS2.La/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);
InChIKeyDXHJSOZNJNLAQC-UHFFFAOYSA-N
XLogP1.54
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 diethylcarbamodithioic acid;lanthanum?
The IUPAC name of diethylcarbamodithioic acid;lanthanum (CID 174709287) is diethylcarbamodithioic acid;lanthanum.
What is the SMILES notation for diethylcarbamodithioic acid;lanthanum?
The canonical SMILES for diethylcarbamodithioic acid;lanthanum is CCN(CC)C(=S)S.[La].
What is the InChIKey of diethylcarbamodithioic acid;lanthanum?
The InChIKey is DXHJSOZNJNLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.La/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);.
What are the key properties of diethylcarbamodithioic acid;lanthanum?
diethylcarbamodithioic acid;lanthanum has a molecular weight of 288.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamodithioic acid;lanthanum is sourced from PubChem (CID 174709287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).