5-Cyano-2-thiophene carbaldehyde

• CAS: 21512-16-3
• Catalog Number: ACM21512163
• Category: Other Products
• Molecular Weight: 137.16g/mol
• Molecular Formula: C6H3NOS
• Synonyms: 5-CYANO-2-THIOPHENE CARBALDEHYDE
• IUPAC Name: 5-formylthiophene-2-carbonitrile
• Canonical SMILES: C1=C(SC(=C1)C#N)C=O
• InChI: InChI=1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H
• InChI Key: PZIFYWVUYHMYOA-UHFFFAOYSA-N
• Complexity: 160
• Covalently-Bonded Unit Count: 1
• Exact Mass: 136.993535g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 136.993535g/mol
• Rotatable Bond Count: 1
• XLogP3: 1.5

Synthetic Use

Upstream Synthesis Route 1

• 1003-31-2
• 68-12-2

• 21512-16-3

Reference: [1] Patent: WO2011/73298, 2011, A1, . Location in patent: Page/Page column 18

Upstream Synthesis Route 2

• 1003-31-2

• 21512-16-3

Reference: [1] Patent: US5914319, 1999, A,

Upstream Synthesis Route 3

• 72835-25-7

• 21512-16-3

Reference: [1] Patent: US5053415, 1991, A,

Upstream Synthesis Route 4

• 90924-79-1

• 21512-16-3

Reference: [1]Journal of Organic Chemistry,1957,vol. 22,p. 1636,1640

Downstream Synthesis Route 1

• 21512-16-3

• 51412-95-4

Reference: [1]Journal of Organic Chemistry,1957,vol. 22,p. 1636,1640

Downstream Synthesis Route 2

• 21512-16-3

• 98278-95-6

Reference: [1]Journal of Organic Chemistry,1957,vol. 22,p. 1636,1640

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