Thioanisole

• CAS: 100-68-5
• Catalog Number: ACM100685
• Category: Other Products
• Molecular Weight: 124.21
• Molecular Formula: C₇H₈S
• Synonyms: (1-Thiaethyl)benzene
• IUPAC Name: Methylsulfanylbenzene
• Canonical SMILES: CSC1=CC=CC=C1
• InChI: InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
• InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N
• Boiling Point: 188 °C
• Melting Point: -15 °C
• Flash Point: 135 °F
• Density: 1.057 g/mL at 20 °C(lit.)
• Solubility: Insoluble in water; soluble in alcohol and oil
• Exact Mass: 124.03467143
• Monoisotopic Mass: 124.03467143
• Physical State: Liquid
• Refractive Index: n20/D 1.587(lit.)
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 25.3 Ų

Synthetic Use

Upstream Synthesis Route 1

• 21948-75-4
• 100-58-3

• 1008-89-5
• 366-18-7
• 100-68-5
• 1193-82-4

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

Downstream Synthesis Route 1

• 100-68-5
• 68-12-2

• 3446-89-7

Reference: [1] Patent: CN107556223, 2018, A, . Location in patent: Paragraph 0028-0030

Downstream Synthesis Route 2

• 100-68-5

• 3446-89-7

Reference: [1] Bulletin de la Societe Chimique de France, 1955, p. 1594,1596
[2] Journal of Organic Chemistry, 1952, vol. 17, p. 350,356

Downstream Synthesis Route 3

• 100-68-5

• 71868-10-5

Reference: [1] Patent: CN108276361, 2018, A,

Downstream Synthesis Route 4

• 50-00-0
• 100-68-5

• 699-12-7

Reference: [1]Gokel, George W.; Gerdes, Harold M.; Dishong, Dennis M.
[Journal of Organic Chemistry, 1980, vol. 45, # 18, p. 3634 - 3639]

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