3-(3-amino-3-oxopropyl)-2-[[1-methyl-2-(p-tolyl)-1H-indol-3-yl]azo]benzothiazolium chloride

• CAS: 12221-63-5
• Catalog Number: ACM12221635
• Category: Cationic Dyes
• Molecular Weight: 490.0286
• Molecular Formula: C₂₆H₂₄N₅OS?Cl
• Synonyms: 3-(3-amino-3-oxopropyl)-2-[[1-methyl-2-(p-tolyl)-1H-indol-3-yl]azo]benzothiazolium chloride;Basic Red 39;C.I. Basic Red 39

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C26H24ClN5OS.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-[2-[[1-methyl-2-(4-methylphenyl)indol-3-yl]diazenyl]-1,3-benzothiazol-3-ium-3-yl]propanamide; chloride.

What is the InChIKey of the compound?

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

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the exact mass of the compound?

The exact mass of the compound is 489.1390093 g/mol.

How many rotatable bond counts does the compound have?

The compound has 6 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 105 Ų.

How many heavy atoms are present in the compound?

The compound has 34 heavy atoms.

What is the formal charge of the compound?

The formal charge of the compound is 0.

How complex is the compound?

The compound has a complexity value of 711.