5-Bromobenzothiazole

• CAS: 768-11-6
• Catalog Number: ACM768116
• Category: Bromine Series

Custom Q&A

What is the molecular formula of 5-bromobenzothiazole?

The molecular formula of 5-bromobenzothiazole is C7H4BrNS.

What is the molecular weight of 5-bromobenzothiazole?

The molecular weight of 5-bromobenzothiazole is 214.08 g/mol.

What is the IUPAC name of 5-bromobenzothiazole?

The IUPAC name of 5-bromobenzothiazole is 5-bromo-1,3-benzothiazole.

What is the InChI of 5-bromobenzothiazole?

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

What is the InChIKey of 5-bromobenzothiazole?

The InChIKey of 5-bromobenzothiazole is KFDDRUWQFQJGNL-UHFFFAOYSA-N.

What is the canonical SMILES of 5-bromobenzothiazole?

The canonical SMILES of 5-bromobenzothiazole is C1=CC2=C(C=C1Br)N=CS2.

What is the CAS number of 5-bromobenzothiazole?

The CAS number of 5-bromobenzothiazole is 768-11-6.

What is the European Community (EC) number of 5-bromobenzothiazole?

The European Community (EC) number of 5-bromobenzothiazole is 805-001-7.

What is the DSSTox Substance ID of 5-bromobenzothiazole?

The DSSTox Substance ID of 5-bromobenzothiazole is DTXSID40394152.

Is 5-bromobenzothiazole a canonicalized compound?

Yes, 5-bromobenzothiazole is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 1123-93-9

• 768-11-6

Reference: [1] Journal of Organic Chemistry, 1976, vol. 41, # 8, p. 1328 - 1331
[2] Patent: US2006/35897, 2006, A1, . Location in patent: Page/Page column 23
[3] Patent: WO2008/8821, 2008, A2, . Location in patent: Page/Page column 42

Upstream Synthesis Route 2

• 1123-93-9

• 768-11-6

Reference: [1]Journal of Organic Chemistry,1976,vol. 41,p. 1328 - 1331
[2]Patent: US2006/35897,2006,A1 .Location in patent: Page/Page column 23
[3]Patent: WO2008/8821,2008,A2 .Location in patent: Page/Page column 42

Downstream Synthesis Route 1

• 768-11-6
• 73963-98-1

• 58249-57-3

Reference: [1] Patent: WO2013/66729, 2013, A1, . Location in patent: Page/Page column 232; 233

Downstream Synthesis Route 2

• 768-11-6

• 71216-20-1

Reference: [1] Patent: CN108530374, 2018, A, . Location in patent: Paragraph 0032; 0033

Downstream Synthesis Route 3

• 768-11-6
• 762-42-5

• 58249-60-8

Reference: [1]Journal of Organic Chemistry,1976,vol. 41,p. 1328 - 1331

Downstream Synthesis Route 4

• 768-11-6
• 73183-34-3

• 1073354-91-2

Reference: [1]Patent: WO2010/68257,2010,A1 .Location in patent: Page/Page column 92-93

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