1-(4-methylphenyl)sulfonylimidazole

• CAS: 2232-08-8
• Catalog Number: ACM2232088
• Category: Imidazoles
• Molecular Weight: 222.26
• Molecular Formula: C10H10N2O2S
• Boiling Point: 409.1ºC at 760 mmHg
• Melting Point: 76-78 °C
• Density: 1.29 g/cm³
• Appearance: White powder

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H10N2O2S.

What is the molecular weight of the compound?

The molecular weight of the compound is 222.27 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(4-methylphenyl)sulfonylimidazole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H10N2O2S/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12/h2-8H,1H3.

What is the InChIKey of the compound?

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

What is the CAS number of the compound?

The CAS number of the compound is 2232-08-8.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 288-32-4
• 98-59-9

• 2232-08-8

Reference: [1] Organic and Biomolecular Chemistry, 2011, vol. 9, # 7, p. 2209 - 2218

Upstream Synthesis Route 2

• 288-32-4
• 536-57-2

• 136918-14-4
• 2232-08-8

Reference: [1]Bulletin of the Chemical Society of Japan,1980,vol. 53,p. 3678 - 3682

Upstream Synthesis Route 3

• 288-32-4
• 75-89-8
• 25370-91-6

• 67696-28-0
• 433-06-7
• 2232-08-8
• 100-51-6

Reference: [1]Journal of the American Chemical Society,1987,vol. 109,p. 2062 - 2070

Upstream Synthesis Route 4

• 288-32-4
• 38028-98-7

• 136918-14-4
• 2232-08-8

Reference: [1]Bulletin of the Chemical Society of Japan,1980,vol. 53,p. 3678 - 3682

Downstream Synthesis Route 1

• 2232-08-8
• 56-40-6

• 288-32-4
• 1080-44-0

Reference: [1] Bulletin de la Societe Chimique de France, 1988, # 2, p. 356 - 360

Downstream Synthesis Route 2

• 2232-08-8

• 1576-35-8

Reference: [1] Letters in Organic Chemistry, 2015, vol. 12, # 9, p. 637 - 644

* For details of the synthesis route, please refer to the original source to ensure accuracy.