5-Bromo-2-(methylthio)pyrimidine

• CAS: 14001-67-3
• Catalog Number: ACM14001673
• Category: Other

Custom Q&A

What is the molecular formula of 5-Bromo-2-(methylthio)pyrimidine?

The molecular formula of 5-Bromo-2-(methylthio)pyrimidine is C5H5BrN2S.

What is the molecular weight of 5-Bromo-2-(methylthio)pyrimidine?

The molecular weight of 5-Bromo-2-(methylthio)pyrimidine is 205.08 g/mol.

What is the IUPAC name of 5-Bromo-2-(methylthio)pyrimidine?

The IUPAC name of 5-Bromo-2-(methylthio)pyrimidine is 5-bromo-2-methylsulfanylpyrimidine.

What is the InChI of 5-Bromo-2-(methylthio)pyrimidine?

The InChI of 5-Bromo-2-(methylthio)pyrimidine is InChI=1S/C5H5BrN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3.

What is the InChIKey of 5-Bromo-2-(methylthio)pyrimidine?

The InChIKey of 5-Bromo-2-(methylthio)pyrimidine is WFLSPLBDSJLPFW-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-(methylthio)pyrimidine?

The canonical SMILES of 5-Bromo-2-(methylthio)pyrimidine is CSC1=NC=C(C=N1)Br.

What is the CAS number of 5-Bromo-2-(methylthio)pyrimidine?

The CAS number of 5-Bromo-2-(methylthio)pyrimidine is 14001-67-3.

What is the EC number of 5-Bromo-2-(methylthio)pyrimidine?

The EC number of 5-Bromo-2-(methylthio)pyrimidine is 623-706-6.

What is the DSSTox Substance ID of 5-Bromo-2-(methylthio)pyrimidine?

The DSSTox Substance ID of 5-Bromo-2-(methylthio)pyrimidine is DTXSID10406231.

Is 5-Bromo-2-(methylthio)pyrimidine a canonicalized compound?

Yes, 5-Bromo-2-(methylthio)pyrimidine is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 74-93-1
• 32779-36-5

• 14001-67-3

Reference: [1] Patent: US2017/291910, 2017, A1, . Location in patent: Paragraph 0496-0498

Upstream Synthesis Route 2

• 32779-36-5
• 5188-07-8

• 14001-67-3

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 23, p. 7046 - 7049
[2] Patent: WO2006/4532, 2006, A1, . Location in patent: Page/Page column 23-24
[3] Patent: EP1956009, 2008, A1, . Location in patent: Page/Page column 59

Upstream Synthesis Route 3

• 56-23-5
• 859957-25-8

• 14001-67-3

Reference: [1]Journal of the American Chemical Society,1916,vol. 38,p. 1564

Upstream Synthesis Route 4

• 63810-78-6

• 14001-67-3

Reference: [1]Journal of the American Chemical Society,1916,vol. 38,p. 1564

Downstream Synthesis Route 1

• 14001-67-3
• 1066-45-1

• 823-09-6
• 122476-81-7
• 122476-79-3

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry, [2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989, p. 255 - 260

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