Benzenemethanethiol,3-methyl-

• CAS: 25697-56-7
• Catalog Number: ACM25697567
• Category: Other Products
• Molecular Weight: 138.23
• Molecular Formula: C₈H₁₀S
• Synonyms: (3-methylphenyl)methanethiol, 3-METHYLBENZYL MERCAPTAN, 25697-56-7, ZINC04271711, AC1MCUSH, ACMC-1CQ7K, (3-methylphenyl)methane-1-thiol, CTK8A8826, MolPort-000-146-957, SBB086034, AKOS000169082, AG-A-04020, TL00469, KB-32611, FT-0616133, FT-0616141, I01-23042
• IUPAC Name: (3-methylphenyl)methanethiol
• Canonical SMILES: CC1=CC(=CC=C1)CS
• InChI Key: PNAZUQUHTIOEHF-UHFFFAOYSA-N
• Boiling Point: 102-104ºC(15 torr)
• Flash Point: 85.3ºC
• Density: 1.015g/cm³
• Exact Mass: 138.05000
• Hazard Statements: Xn:Harmful
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• Safety Description: S23-S36/37

Synthetic Use

Downstream Synthesis Route 1

• 328-87-0
• 25697-56-7

• 24156-17-0

Reference: [1]Journal of Medicinal Chemistry,1970,vol. 13,p. 206 - 210
[2]Patent: US4663344,1987,A

Downstream Synthesis Route 2

• 25697-56-7
• 16754-80-6

• 1039752-91-4

Reference: [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 3934 - 3945

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