4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid

• CAS: 313339-35-4
• Catalog Number: ACM313339354
• Category: Other Products
• Molecular Weight: 239.08
• Molecular Formula: C₆H₄Cl₂N₂O₂S
• Synonyms: 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID;RARECHEM AL BO 1988;4,6-dichloro-2-(Methylsulfanyl)pyriMidine-5-carboxylic acid;4,6-dichloro-2-(Methylthio)-5-pyriMidine carboxylic acid
• Melting Point: 159-163°C
• Hazard Statements: Xi
• Safety Description: 26
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid?

The molecular formula is C6H4Cl2N2O2S.

What is the molecular weight of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid?

The molecular weight is 239.08 g/mol.

When was 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid created in PubChem?

It was created on December 5, 2007.

What is the InChIKey of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid?

The InChIKey is LUCAXEBLTQAMHS-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid have?

It has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid?

The topological polar surface area is 88.4 Ų.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

What are some synonyms for 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid?

Some synonyms include 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylic acid and 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid.

What is the XLogP3-AA value of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid?

The XLogP3-AA value is 2.5.

What is the CAS number for 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid?

The CAS number is 313339-35-4.

Synthetic Use

Upstream Synthesis Route 1

• 6299-25-8
• 124-38-9

• 313339-35-4

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 16, p. 4642 - 4646

Upstream Synthesis Route 2

• 33097-11-9

• 313339-35-4

Reference: [1] Patent: EP2471793, 2012, A1, . Location in patent: Page/Page column 58

Upstream Synthesis Route 3

• 6299-25-8

• 313339-35-4

Reference: [1] Patent: US2004/142930, 2004, A1,

Downstream Synthesis Route 1

• 313339-35-4

• 569684-00-0

Reference: [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 5717 - 5732

Downstream Synthesis Route 2

• 313339-35-4

• 606971-66-8

Reference: [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 5717 - 5732

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