Thiophene-2-acetonitrile

• CAS: 20893-30-5
• Catalog Number: ACM20893305
• Category: Thiophenes
• Molecular Weight: 123.17
• Molecular Formula: C6H5NS
• Synonyms: 2-Thienylacetonitrile
• Boiling Point: 115-20 °C
• Flash Point: 102 °C
• Density: 1.157 g/mL at 25 °C(lit.)
• Appearance: Colorless to Pale Yellow Liquid

Custom Q&A

What is the molecular formula of Thiophene-2-acetonitrile?

The molecular formula of Thiophene-2-acetonitrile is C6H5NS.

What is the molecular weight of Thiophene-2-acetonitrile?

The molecular weight of Thiophene-2-acetonitrile is 123.18 g/mol.

What is the IUPAC name of Thiophene-2-acetonitrile?

The IUPAC name of Thiophene-2-acetonitrile is 2-thiophen-2-ylacetonitrile.

What is the SMILES representation of Thiophene-2-acetonitrile?

The SMILES representation of Thiophene-2-acetonitrile is C1=CSC(=C1)CC#N.

What is the CAS number of Thiophene-2-acetonitrile?

The CAS number of Thiophene-2-acetonitrile is 20893-30-5.

What is the European Community (EC) number of Thiophene-2-acetonitrile?

The European Community (EC) number of Thiophene-2-acetonitrile is 244-104-6.

How many hydrogen bond donor counts does Thiophene-2-acetonitrile have?

Thiophene-2-acetonitrile has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Thiophene-2-acetonitrile have?

Thiophene-2-acetonitrile has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does Thiophene-2-acetonitrile have?

Thiophene-2-acetonitrile has 1 rotatable bond count.

What is the topological polar surface area of Thiophene-2-acetonitrile?

The topological polar surface area of Thiophene-2-acetonitrile is 52.2.

Synthetic Use

Downstream Synthesis Route 1

• 20893-30-5

• 39098-97-0

Reference: [1] Bulletin de la Societe Chimique de France, 1949, p. 847,851

Downstream Synthesis Route 2

• 20893-30-5

• 1918-77-0

Reference: [1] Patent: CN106518839, 2017, A, . Location in patent: Paragraph 0006; 0013; 0014

Downstream Synthesis Route 3

• 20893-30-5

• 71637-37-1

Reference: [1] Journal of Nanoscience and Nanotechnology, 2011, vol. 11, # 7, p. 5876 - 5882
[2] Macromolecules, 2004, vol. 37, # 14, p. 5265 - 5273
[3] Journal of Polymer Science, Part A: Polymer Chemistry, 2011, vol. 49, # 5, p. 1119 - 1128
[4] Angewandte Chemie - International Edition, 2015, vol. 54, # 16, p. 4782 - 4786[5] Angew. Chem., 2015, vol. 127, # 16, p. 4864 - 4868,5

Downstream Synthesis Route 4

• 20893-30-5
• 459-57-4

• 347-52-4

Reference: [1]Gupta, Chhedi Lal; Hranjec, Marijana; Juričić, Štefica; Klobučar, Marko; Malod-Dognin, Noël; Pavelić, Sandra Kraljević; Perin, Nataša; Pržulj, Nataša; Rep, Valentina; Selgrad, Danijel; Sović, Irena
[European Journal of Medicinal Chemistry, 2019]
[2]Quiroga, Jairo; Cobo, Debora; Insuasty, Braulio; Abonia, Rodrigo; Nogueras, Manuel; Cobo, Justo; Vasquez, Yelkaira; Gupta, Mahabir; Derita, Marcos; Zacchino, Susana
[Archiv der Pharmazie, 2007, vol. 340, # 11, p. 603 - 606]
[3]Buu-Hoi et al.
[Journal of the Chemical Society, 1952, p. 4590,4593]

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