2-Bromothioanisole

• CAS: 19614-16-5
• Catalog Number: ACM19614165
• Category: Bromine Series
• Molecular Weight: 203.10
• Molecular Formula: C₇H₇BrS

Custom Q&A

What is the PubChem CID of 2-Bromothioanisole?

PubChem CID 88166

What is the molecular formula of 2-Bromothioanisole?

The molecular formula is C7H7BrS.

What is the molecular weight of 2-Bromothioanisole?

The molecular weight is 203.10 g/mol.

What is the IUPAC name of 2-Bromothioanisole?

The IUPAC name is 1-bromo-2-methylsulfanylbenzene.

What is the InChI of 2-Bromothioanisole?

The InChI is InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3.

What is the InChIKey of 2-Bromothioanisole?

The InChIKey is ALAQDUSTXPEHMH-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromothioanisole?

The canonical SMILES is CSC1=CC=CC=C1Br.

What is the CAS number of 2-Bromothioanisole?

The CAS number is 19614-16-5.

What is the XLogP3-AA value of 2-Bromothioanisole?

The XLogP3-AA value is 3.1.

Is 2-Bromothioanisole a canonicalized compound?

Yes, 2-Bromothioanisole is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 2568-36-7

• 109380-07-6
• 33733-73-2
• 19614-16-5
• 17202-32-3

Reference: [1] Acta Chemica Scandinavica, 1997, vol. 51, # 11, p. 1112 - 1115

Downstream Synthesis Route 1

• 19614-16-5

• 1628-29-1

Reference: [1] Chemistry Letters, 2018, vol. 47, # 7, p. 825 - 828

Downstream Synthesis Route 2

• 19614-16-5

• 1783-81-9

Reference: [1] Iowa State College Journal of Science, 1946, vol. 21, p. 38
[2] Iowa State College Journal of Science, 1946, vol. 21, p. 38

Downstream Synthesis Route 3

• 19614-16-5

• 33951-33-6

Reference: [1]Electrochemistry Communications,2019,vol. 109

Downstream Synthesis Route 4

• 19614-16-5

• 126218-83-5

Reference: [1]Tetrahedron Letters,2008,vol. 49,p. 5611 - 5613

Downstream Synthesis Route 5

• 360-92-9
• 19614-16-5

• 166831-65-8

Reference: [1]Findlay; Fishwick; Kersey; Ward
[Synthesis, 1995, # 5, p. 553 - 556]

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