Hexadecanethiol

• CAS: 2917-26-2
• Catalog Number: ACM2917262
• Category: Biomaterials
• Molecular Weight: 258.51
• Molecular Formula: C₁₆H₃₄S
• Synonyms: MERCAPTAN C16;hexadecane-1-thiol;HEXADECYL THIOL;HEXADECYL MERCAPTAN;HEXADECANETHIOL;CETYL MERCAPTAN;1-CETANETHIOL;1-HEXADECANETHIOL

Custom Q&A

What is the molecular formula of hexadecanethiol?

The molecular formula of hexadecanethiol is CH3[CH2]15SH, or C16H34S.

What is the molecular weight of hexadecanethiol?

The molecular weight of hexadecanethiol is 258.5 g/mol.

What is the IUPAC name of hexadecanethiol?

The IUPAC name of hexadecanethiol is hexadecane-1-thiol.

What is the Canonical SMILES representation of hexadecanethiol?

The Canonical SMILES representation of hexadecanethiol is CCCCCCCCCCCCCCCCCS.

What is the InChIKey of hexadecanethiol?

The InChIKey of hexadecanethiol is ORTRWBYBJVGVQC-UHFFFAOYSA-N.

What is the CAS number of hexadecanethiol?

The CAS number of hexadecanethiol is 2917-26-2.

How many hydrogen bond donor counts does hexadecanethiol have?

Hexadecanethiol has 1 hydrogen bond donor count.

How many rotatable bond counts does hexadecanethiol have?

Hexadecanethiol has 14 rotatable bond counts.

What is the exact mass of hexadecanethiol?

The exact mass of hexadecanethiol is 258.23812226 g/mol.

What is the topological polar surface area of hexadecanethiol?

The topological polar surface area of hexadecanethiol is 1Ų.

Synthetic Use

Upstream Synthesis Route 1

• 629-79-8

• 2917-26-2

Reference: [1]Current Patent Assignee: DUPONT DE NEMOURS INC - US2230390, 1939, A

Upstream Synthesis Route 2

• 112-82-3

• 2917-26-2

Reference: [1]Fore; Bost
[Journal of the American Chemical Society, 1937, vol. 59, p. 2557]
Halpern; Glasser
[Journal of the American Pharmaceutical Association (1912), 1949, vol. 38, p. 288][Chem.Abstr., 1949, p. 8610]
[2]Fore; Bost
[Journal of the American Chemical Society, 1937, vol. 59, p. 2557]
Halpern; Glasser
[Journal of the American Pharmaceutical Association (1912), 1949, vol. 38, p. 288][Chem.Abstr., 1949, p. 8610]
[3]Klayman,D.L. et al.
[Journal of Organic Chemistry, 1972, vol. 37, p. 1532 - 1537]
[4]Kulka
[Canadian Journal of Chemistry, 1956, vol. 34, p. 1093,1099]

Downstream Synthesis Route 1

• 2917-26-2

• 1561-75-7

Reference: [1]Christoforou, Angelos; Nicolaou, Georgia; Elemes, Yiannis
[Tetrahedron Letters, 2006, vol. 47, # 52, p. 9211 - 9213]

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