4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione

C5H10AlN3S2 — CID 147469397

IUPAC4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione
SMILESCCn1c(=S)n([AlH2])c(=S)n1C
InChIInChI=1S/C5H9N3S2.Al.2H/c1-3-8-5(10)6-4(9)7(8)2;;;/h3H2,1-2H3,(H,6,9,10);;;/q;+1;;/p-1
InChIKeyFBLRZWDXQNJAPH-UHFFFAOYSA-M
MW203.27 g/mol
LogP0.50
Rot. Bonds1

About 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione

4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione (PubChem CID 147469397) has the molecular formula C5H10AlN3S2 and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione.

Molecular Properties

Compound Name4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione
PubChem CID147469397
Molecular FormulaC5H10AlN3S2
Molecular Weight203.27 g/mol
Exact Mass203.01
IUPAC Name4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione
SMILESCCn1c(=S)n([AlH2])c(=S)n1C
InChIInChI=1S/C5H9N3S2.Al.2H/c1-3-8-5(10)6-4(9)7(8)2;;;/h3H2,1-2H3,(H,6,9,10);;;/q;+1;;/p-1
InChIKeyFBLRZWDXQNJAPH-UHFFFAOYSA-M
XLogP0.50
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4,5-Tetramethyl-1,2,4-triazolidine-3-thione
CID 15001252
4-Alumanyl-1-(3-fluoropropyl)-2-methyl-1,2,4-triazolidine-3,5-dithione
CID 158538730

Frequently Asked Questions

What is the IUPAC name of 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione?
The IUPAC name of 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione (CID 147469397) is 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione.
What is the SMILES notation for 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione?
The canonical SMILES for 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione is CCn1c(=S)n([AlH2])c(=S)n1C.
What is the InChIKey of 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione?
The InChIKey is FBLRZWDXQNJAPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9N3S2.Al.2H/c1-3-8-5(10)6-4(9)7(8)2;;;/h3H2,1-2H3,(H,6,9,10);;;/q;+1;;/p-1.
What are the key properties of 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione?
4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione has a molecular weight of 203.27 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione is sourced from PubChem (CID 147469397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).