p-Cumenesulphonic acid

• CAS: 16066-35-6
• Catalog Number: ACM16066356
• Category: Other Products
• Molecular Weight: 200.25478
• Molecular Formula: C₉H₁₂O₃S
• Synonyms: p-cumenesulphonic acid;4-Cumenesulfonic acid

Custom Q&A

What is the molecular formula of p-Cumenesulphonic acid?

The molecular formula of p-Cumenesulphonic acid is C9H12O3S.

What is the molecular weight of p-Cumenesulphonic acid?

The molecular weight of p-Cumenesulphonic acid is 200.26 g/mol.

What is the IUPAC name of p-Cumenesulphonic acid?

The IUPAC name of p-Cumenesulphonic acid is 4-propan-2-ylbenzenesulfonic acid.

What is the InChIKey of p-Cumenesulphonic acid?

The InChIKey of p-Cumenesulphonic acid is CVLHGLWXLDOELD-UHFFFAOYSA-N.

What is the canonical SMILES of p-Cumenesulphonic acid?

The canonical SMILES of p-Cumenesulphonic acid is CC(C)C1=CC=C(C=C1)S(=O)(=O)O.

What is the CAS number of p-Cumenesulphonic acid?

The CAS number of p-Cumenesulphonic acid is 16066-35-6.

How many hydrogen bond donor counts does p-Cumenesulphonic acid have?

p-Cumenesulphonic acid has one hydrogen bond donor count.

How many hydrogen bond acceptor counts does p-Cumenesulphonic acid have?

p-Cumenesulphonic acid has three hydrogen bond acceptor counts.

How many rotatable bond counts does p-Cumenesulphonic acid have?

p-Cumenesulphonic acid has two rotatable bond counts.

What is the topological polar surface area of p-Cumenesulphonic acid?

The topological polar surface area of p-Cumenesulphonic acid is 62.8 ?2.

Synthetic Use

Upstream Synthesis Route 1

• 98-82-8

• 16066-35-6

Reference: [1]Binisti, Carine; Assogba, Leon; Touboul, Estera; Mounier, Carine; Huet, Jack; Ombetta, Jean-Edouard; Dong, Chang Zhi; Redeuilh, Catherine; Heymans, Francoise; Godfroid, Jean-Jacques
[European Journal of Medicinal Chemistry, 2001, vol. 36, # 10, p. 809 - 828]

Upstream Synthesis Route 2

• 98-82-8

• 54997-90-9
• 16066-35-6
• 22033-07-4
• 61738-47-4
• 71530-58-0
• 22033-08-5

Reference: [1]Journal of Organic Chemistry USSR (English Translation),1982,vol. 18,p. 1695 - 1701
Zhurnal Organicheskoi Khimii,1982,vol. 18,p. 1936 - 1942
[2]Journal of general chemistry of the USSR,1982,vol. 52,p. 341 - 343
Zhurnal Obshchei Khimii,1982,vol. 52,p. 390 - 393

Upstream Synthesis Route 3

• 98-82-8

• 16066-35-6
• 22033-07-4
• 4365-11-1
• 61128-12-9
• 61128-11-8
• 22033-08-5

Reference: [1]Krylov, E.N.; Odintsova, G.N.
[Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 1695 - 1701][Zhurnal Organicheskoi Khimii, 1982, vol. 18, # 9, p. 1936 - 1942]
[2]Krylov, E. N.; Khokhlova, S. G.
[Journal of general chemistry of the USSR, 1982, vol. 52, # 2, p. 341 - 343][Zhurnal Obshchei Khimii, 1982, vol. 52, # 2, p. 390 - 393]