4-Bromothioanisole

• CAS: 104-95-0
• Catalog Number: ACM104950
• Category: Bromine Series
• Molecular Weight: 203.09
• Molecular Formula: C₇H₇BrS

Custom Q&A

What is the molecular formula of 4-Bromothioanisole?

The molecular formula of 4-Bromothioanisole is C7H7BrS.

What is the molecular weight of 4-Bromothioanisole?

The molecular weight of 4-Bromothioanisole is 203.10 g/mol.

What is the IUPAC Name of 4-Bromothioanisole?

The IUPAC Name of 4-Bromothioanisole is 1-bromo-4-methylsulfanylbenzene.

What is the InChIKey of 4-Bromothioanisole?

The InChIKey of 4-Bromothioanisole is YEUYZNNBXLMFCW-UHFFFAOYSA-N.

How many Hydrogen Bond Acceptor Counts does 4-Bromothioanisole have?

4-Bromothioanisole has 1 Hydrogen Bond Acceptor Count.

What is the Topological Polar Surface Area of 4-Bromothioanisole?

The Topological Polar Surface Area of 4-Bromothioanisole is 25.3Ų.

How many Heavy Atoms are present in 4-Bromothioanisole?

There are 9 Heavy Atoms present in 4-Bromothioanisole.

Does 4-Bromothioanisole have any Defined Atom Stereocenter Count?

No, 4-Bromothioanisole does not have any Defined Atom Stereocenter Count.

Is the Compound Is Canonicalized for 4-Bromothioanisole?

Yes, the Compound Is Canonicalized for 4-Bromothioanisole.

When was the last modification date for information about 4-Bromothioanisole?

The last modification date for information about 4-Bromothioanisole was December 2, 2023.

Synthetic Use

Upstream Synthesis Route 1

• 100-68-5

• 104-95-0

Reference: [1]Shi, Yao; Ke, Zhihai; Yeung, Ying-Yeung
[Green Chemistry, 2018, vol. 20, # 19, p. 4448 - 4452]

Downstream Synthesis Route 1

• 201230-82-2
• 104-95-0

• 3446-89-7

Reference: [1] Chemistry - An Asian Journal, 2012, vol. 7, # 10, p. 2213 - 2216

Downstream Synthesis Route 2

• 50-00-0
• 104-95-0

• 3446-89-7

Reference: [1] Angewandte Chemie - International Edition, 2014, vol. 53, # 38, p. 10090 - 10094[2] Angew. Chem., 2015, vol. 126, # 38, p. 10254 - 10258,5

Downstream Synthesis Route 3

• 104-95-0
• 68-12-2

• 3446-89-7

Reference: [1] Journal of Organic Chemistry, 1986, vol. 51, # 7, p. 1110 - 1114

Downstream Synthesis Route 4

• 104-95-0

• 934-71-4

Reference: [1]Lion, Claude; Da Conceicao, Louis; Hecquet, Gerard; Pralus, Christian; Schirmann, Jean-Pierre; Requieme, Benoit
[Phosphorus, Sulfur and Silicon and the Related Elements, 2004, vol. 179, # 6, p. 1131 - 1152]

Downstream Synthesis Route 5

• 104-95-0

• 3466-32-8

Reference: [1]Schwertz, Geoffrey; Frei, Michelle S.; Witschel, Matthias C.; Rottmann, Matthias; Leartsakulpanich, Ubolsree; Chitnumsub, Penchit; Jaruwat, Aritsara; Ittarat, Wanwipa; Schäfer, Anja; Aponte, Raphael A.; Trapp, Nils; Mark, Kerstin; Chaiyen, Pimchai; Diederich, François
[Chemistry - A European Journal, 2017, vol. 23, # 57, p. 14345 - 14357]

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