alumane;diethylcarbamodithioic acid

C5H14AlNS2 — CID 174602064

IUPACalumane;diethylcarbamodithioic acid
SMILESCCN(CC)C(=S)S.[AlH3]
InChIInChI=1S/C5H11NS2.Al.3H/c1-3-6(4-2)5(7)8;;;;/h3-4H2,1-2H3,(H,7,8);;;;
InChIKeyUIHSVRFAJQCGIE-UHFFFAOYSA-N
MW179.29 g/mol
LogP0.36
Rot. Bonds2

About alumane;diethylcarbamodithioic acid

alumane;diethylcarbamodithioic acid (PubChem CID 174602064) has the molecular formula C5H14AlNS2 and a molecular weight of 179.29 g/mol. Its IUPAC name is alumane;diethylcarbamodithioic acid.

Molecular Properties

Compound Namealumane;diethylcarbamodithioic acid
PubChem CID174602064
Molecular FormulaC5H14AlNS2
Molecular Weight179.29 g/mol
Exact Mass179.04
IUPAC Namealumane;diethylcarbamodithioic acid
SMILESCCN(CC)C(=S)S.[AlH3]
InChIInChI=1S/C5H11NS2.Al.3H/c1-3-6(4-2)5(7)8;;;;/h3-4H2,1-2H3,(H,7,8);;;;
InChIKeyUIHSVRFAJQCGIE-UHFFFAOYSA-N
XLogP0.36
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 50.36
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'}

Analyze alumane;diethylcarbamodithioic acid 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 alumane;diethylcarbamodithioic acid?
The IUPAC name of alumane;diethylcarbamodithioic acid (CID 174602064) is alumane;diethylcarbamodithioic acid.
What is the SMILES notation for alumane;diethylcarbamodithioic acid?
The canonical SMILES for alumane;diethylcarbamodithioic acid is CCN(CC)C(=S)S.[AlH3].
What is the InChIKey of alumane;diethylcarbamodithioic acid?
The InChIKey is UIHSVRFAJQCGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.Al.3H/c1-3-6(4-2)5(7)8;;;;/h3-4H2,1-2H3,(H,7,8);;;;.
What are the key properties of alumane;diethylcarbamodithioic acid?
alumane;diethylcarbamodithioic acid has a molecular weight of 179.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;diethylcarbamodithioic acid is sourced from PubChem (CID 174602064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).