Cyclohexanecarbothioamide, 2-oxo-

Base Information

• Chemical Name: Cyclohexanecarbothioamide, 2-oxo-
• CAS No.: 51978-91-7
• Molecular Formula: C₇H₁₁NOS
• Molecular Weight: 157.236
• DSSTox Substance ID: DTXSID80480629
• Mol file: 51978-91-7.mol

Synonyms:Cyclohexanecarbothioamide, 2-oxo-;51978-91-7;DTXSID80480629

Chemical Property of Cyclohexanecarbothioamide, 2-oxo-

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.05613515
• Heavy Atom Count: 10
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)C(=S)N

Technology Process of Cyclohexanecarbothioamide, 2-oxo-

There total 2 articles about Cyclohexanecarbothioamide, 2-oxo- 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:

2-morpholin-4-yl-cyclohex-1-enecarbothioic acid amide (51978-89-3) → 2-Oxocyclohexan-1-carbothioamid (51978-91-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1071/CH9750143

Reference yield:

→ 2-Oxocyclohexan-1-carbothioamid (51978-91-7)

Guidance literature:

1-Morpholino-2-thioamidocyclohexene, dil. HCl, Hydrolyse;

Reference yield:

3-chloropropiophenone (936-59-4) + 2-Oxocyclohexan-1-carbothioamid (51978-91-7) → 2-Oxo-cyclohexanecarboximidothioic acid 3-oxo-3-phenyl-propyl ester (51978-93-9)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1071/CH9750143

upstream raw materials:

2-morpholin-4-yl-cyclohex-1-enecarbothioic acid amide

Downstream raw materials:

2-Oxo-cyclohexanecarboximidothioic acid 3-oxo-3-phenyl-propyl ester

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