Ethyl 2-(5-bromo-2-thienyl)-1,3-thiazole-4-carboxylate

• CAS: 423768-45-0
• Catalog Number: ACM423768450
• Category: Bromine Series
• Molecular Weight: 318.21
• Molecular Formula: C₁₀H₈BrNO₂S₂
• Synonyms: ETHYL 2-(5-BROMO-2-THIENYL)-1,3-THIAZOLE-4-CARBOXYLATE;4-Thiazolecarboxylicacid,2-(5-bromo-2-thienyl)-,ethylester(9CI)
• IUPAC Name: ethyl 2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
• Canonical SMILES: CCOC(=O)C1=CSC(=N1)C2=CC=C(S2)Br
• InChI Key: UQDNCYJCQLXMOK-UHFFFAOYSA-N
• Boiling Point: 418.1ºC at 760 mmHg
• Flash Point: 206.6ºC
• Density: 1.611g/cm³
• Exact Mass: 316.91800
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Safety Description: S24/25

Custom Q&A

What is the molecular formula of ethyl 2-(5-bromo-2-thienyl)-1,3-thiazole-4-carboxylate?

The molecular formula is C10H8BrNO2S2.

When was this compound created and last modified on PubChem?

It was created on July 19, 2005, and last modified on December 2, 2023.

What is the molecular weight of ethyl 2-(5-bromo-2-thienyl)-1,3-thiazole-4-carboxylate?

The molecular weight is 318.2 g/mol.

What is the IUPAC name of this compound?

The IUPAC name is ethyl 2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate.

What is the InChI of ethyl 2-(5-bromo-2-thienyl)-1,3-thiazole-4-carboxylate?

The InChI is InChI=1S/C10H8BrNO2S2/c1-2-14-10(13)6-5-15-9(12-6)7-3-4-8(11)16-7/h3-5H,2H2,1H3

How many hydrogen bond acceptor counts does this compound have?

It has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of ethyl 2-(5-bromo-2-thienyl)-1,3-thiazole-4-carboxylate?

The topological polar surface area is 95.7 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many rotatable bond counts does this compound have?

It has 4 rotatable bond counts.

What is the Formal Charge of the compound?

The Formal Charge is 0.