3-Fluorothiophenol

• CAS: 2557-77-9
• Catalog Number: ACM2557779
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 128.17
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 3-Fluorothiophenol?

The molecular formula of 3-Fluorothiophenol is C6H5FS.

What is the molecular weight of 3-Fluorothiophenol?

The molecular weight of 3-Fluorothiophenol is 128.17 g/mol.

What is the IUPAC name of 3-Fluorothiophenol?

The IUPAC name of 3-Fluorothiophenol is 3-fluorobenzenethiol.

What is the InChI of 3-Fluorothiophenol?

The InChI of 3-Fluorothiophenol is InChI=1S/C6H5FS/c7-5-2-1-3-6(8)4-5/h1-4,8H.

What is the InChIKey of 3-Fluorothiophenol?

The InChIKey of 3-Fluorothiophenol is ZDEUGINAVLMAET-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluorothiophenol?

The canonical SMILES of 3-Fluorothiophenol is C1=CC(=CC(=C1)S)F.

What is the CAS number of 3-Fluorothiophenol?

The CAS number of 3-Fluorothiophenol is 2557-77-9.

What is the European Community (EC) number of 3-Fluorothiophenol?

The European Community (EC) number of 3-Fluorothiophenol is 219-876-2.

What is the DSSTox Substance ID of 3-Fluorothiophenol?

The DSSTox Substance ID of 3-Fluorothiophenol is DTXSID10180261.

Is 3-Fluorothiophenol a canonicalized compound?

Yes, 3-Fluorothiophenol is a canonicalized compound according to PubChem.

Synthetic Use

Downstream Synthesis Route 1

• 2557-77-9
• 74-88-4

• 657-46-5

Reference: [1] Patent: US2010/273816, 2010, A1, . Location in patent: Page/Page column 41

Downstream Synthesis Route 2

• 2557-77-9

• 657-46-5

Reference: [1] Journal of the American Chemical Society, 1963, vol. 85, p. 709 - 724
[2] Journal of the Korean Chemical Society, 2014, vol. 58, # 1, p. 17 - 24
[3] Polyhedron, 2016, vol. 115, p. 164 - 173

Downstream Synthesis Route 3

• 2557-77-9

• 701-27-9

Reference: [1] Green Chemistry, 2014, vol. 16, # 6, p. 3125 - 3131
[2] Journal of the American Chemical Society, 1963, vol. 85, p. 709 - 724

Downstream Synthesis Route 4

• 53595-65-6
• 2557-77-9

• 63032-19-9

Reference: [1]Journal of Medicinal Chemistry,1981,vol. 24,p. 959 - 964

Downstream Synthesis Route 5

• 2557-77-9

• 63930-17-6

Reference: [1]McKillop; Koyuncu; Krief; Dumont; Renier; Trabelsi
[Tetrahedron Letters, 1990, vol. 31, # 35, p. 5007 - 5010]

Downstream Synthesis Route 6

• 700-85-6
• 2557-77-9

• 16564-03-7

Reference: [1]Collection of Czechoslovak Chemical Communications,1967,vol. 32,p. 2021 - 2024

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