5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride

• CAS: 115473-15-9
• Catalog Number: ACM115473159
• Category: Thiophenes
• Molecular Weight: 191.67
• Molecular Formula: C7H10ClNOS
• Synonyms: 2H,4H,5H,6H,7H,7aH-thieno[3,2-c]pyridin-2-one hydrochloride
• Melting Point: 210 °C(lit.)
• Appearance: Solid

Custom Q&A

What is the molecular formula of 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride?

The molecular formula is C7H10ClNOS.

What is the molecular weight of 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride?

The molecular weight is 191.68 g/mol.

What are some synonyms for 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride?

Some synonyms include 5,6,7,7a-tetrahydrothieno[3,2-C]pyridine-2(4H)-one Hydrochloride and 2H,4H,5H,6H,7H,7aH-thieno[3,2-c]pyridin-2-one hydrochloride.

When was 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride created and modified in PubChem?

It was created on 2007-12-06 and modified on 2023-12-30.

What is the InChIKey for 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride?

The InChIKey is PUQKTVAKLPDUAW-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride have?

It has 2 hydrogen bond donor counts.

What is the hydrogen bond acceptor count for 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride have?

It has 0 rotatable bond counts.

What is the topological polar surface area of 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride?

The topological polar surface area is 54.4 Ų.

Is 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one Hydrochloride a canonicalized compound?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 109904-26-9

• 115473-15-9

Reference: [1] Patent: WO2012/1486, 2012, A1, . Location in patent: Page/Page column 20

Upstream Synthesis Route 2

• 109904-25-8

• 115473-15-9

Reference: [1] Patent: WO2017/221187, 2017, A1, . Location in patent: Page/Page column 13

Upstream Synthesis Route 3

• 28783-41-7

• 115473-15-9

Reference: [1] Patent: WO2011/42918, 2011, A2,

Upstream Synthesis Route 4

• 109904-26-9

• 115473-15-9

Reference: [1]Patent: WO2012/1486,2012,A1 .Location in patent: Page/Page column 20

Upstream Synthesis Route 5

• 28783-41-7

• 115473-15-9

Reference: [1]Patent: WO2011/42918,2011,A2

Upstream Synthesis Route 6

• 109904-25-8

• 115473-15-9

Reference: [1]Patent: WO2017/221187,2017,A1 .Location in patent: Page/Page column 13