(5-Cyclohexyl-4-ethyl-4H-[1,2,4]triazol-3-yl-sulfanyl)acetic acid

• Catalog Number: ACMA00000995
• Category: Amines
• Molecular Weight: 269.36
• Molecular Formula: C₁₂H₁₉N
• Hazard Statements: H302-H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C12H19N3O2S.

What are the synonyms for the compound?

The synonyms for the compound are: (5-Cyclohexyl-4-ethyl-4H-[1,2,4]triazol-3-yl-sulfanyl)acetic acid, MLS000071957, 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-((5-Cyclohexyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 269.37 g/mol.

When was the compound created?

The compound was created on June 4, 2005.

When was the compound last modified?

The compound was last modified on November 25, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H19N3O2S/c1-2-15-11(9-6-4-3-5-7-9)13-14-12(15)18-8-10(16)17/h9H,2-8H2,1H3,(H,16,17).

What is the InChIKey of the compound?

The InChIKey of the compound is GMWDVQIZSPTBNW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCN1C(=NN=C1SCC(=O)O)C2CCCCC2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.4.