3,4-dihydro-2H-benzo[h]thiochromene

Base Information

• Chemical Name: 3,4-dihydro-2H-benzo[h]thiochromene
• CAS No.: 7571-04-2
• Molecular Formula: C₁₃H₁₂S
• Molecular Weight: 200.304
• NSC Number: 108958
• DSSTox Substance ID: DTXSID80296363
• Wikidata: Q82036937

Synonyms:7571-04-2;3,4-dihydro-2H-benzo[h]thiochromene;benzothiochroman;NSC108958;DTXSID80296363;3,4-dihydro-2H-benzo[h]thiochromen;NSC-108958

Chemical Property of 3,4-dihydro-2H-benzo[h]thiochromene

Chemical Property:

• Vapor Pressure: 6.35E-05mmHg at 25°C
• Boiling Point: 355.6°C at 760 mmHg
• Flash Point: 167.7°C
• Density: 1.179g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 200.06597156
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C3=CC=CC=C3C=C2)SC1

Technology Process of 3,4-dihydro-2H-benzo[h]thiochromene

There total 1 articles about 3,4-dihydro-2H-benzo[h]thiochromene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

allyl 1-naphthyl sulfide (51621-72-8) → 1-Naphthalenethiol (529-36-2) + 2,3-dihydro-4H-naphtho<1,2-b>thiopyran (7571-04-2) + 2-Methyl-2,3-dihydronaphtho<1,2-b>thiophene (78680-11-2)

Guidance literature:

In quinoline; at 165 ℃; for 1h; Product distribution; Thermodynamic data; Kinetics; other solvents; ΔS; rate constant;

DOI:10.1007/BF00505684

upstream raw materials:

allyl 1-naphthyl sulfide

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