6-Bromobenzothiazole

• CAS: 53218-26-1
• Catalog Number: ACM53218261
• Category: Bromine Series
• Molecular Weight: 214.07
• Molecular Formula: C₇H₄NBrS

Custom Q&A

What is the PubChem CID for 6-Bromobenzothiazole?

The PubChem CID for 6-Bromobenzothiazole is 2795171.

What is the molecular formula of 6-Bromobenzothiazole?

The molecular formula of 6-Bromobenzothiazole is C7H4BrNS.

What is the molecular weight of 6-Bromobenzothiazole?

The molecular weight of 6-Bromobenzothiazole is 214.08 g/mol.

What is the IUPAC name of 6-Bromobenzothiazole?

The IUPAC name of 6-Bromobenzothiazole is 6-bromo-1,3-benzothiazole.

What is the InChI code for 6-Bromobenzothiazole?

The InChI code for 6-Bromobenzothiazole is InChI=1S/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H.

What is the InChIKey of 6-Bromobenzothiazole?

The InChIKey of 6-Bromobenzothiazole is YJOUISWKEOXIMC-UHFFFAOYSA-N.

What is the CAS number of 6-Bromobenzothiazole?

The CAS number of 6-Bromobenzothiazole is 53218-26-1.

What is the XLogP3 value of 6-Bromobenzothiazole?

The XLogP3 value of 6-Bromobenzothiazole is 2.7.

How many hydrogen bond acceptor count does 6-Bromobenzothiazole have?

6-Bromobenzothiazole has 2 hydrogen bond acceptor count.

Is 6-Bromobenzothiazole a canonicalized compound?

Yes, 6-Bromobenzothiazole is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 124-38-9
• 23451-95-8

• 53218-26-1

Reference: [1] RSC Advances, 2014, vol. 4, # 100, p. 56957 - 56960
[2] Tetrahedron, 2017, vol. 73, # 25, p. 3438 - 3442
[3] ACS Catalysis, 2015, vol. 5, # 11, p. 6648 - 6652

Upstream Synthesis Route 2

• 15864-32-1

• 53218-26-1

Reference: [1] Patent: CN105367442, 2016, A, . Location in patent: Paragraph 0019

Upstream Synthesis Route 3

• 533-30-2

• 53218-26-1

Reference: [1] Organic Letters, 2007, vol. 9, # 18, p. 3623 - 3625

Upstream Synthesis Route 4

• 533-30-2

• 53218-26-1

Reference: [1]Organic Letters,2007,vol. 9,p. 3623 - 3625

Downstream Synthesis Route 1

• 53218-26-1
• 1184-85-6

• 1000312-90-2

Reference: [1]Patent: US2008/90814,2008,A1 .Location in patent: Page/Page column 30-31

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