Cyclohexanecarbothioamide, 2-oxo-N-phenyl-

Base Information

• Chemical Name: Cyclohexanecarbothioamide, 2-oxo-N-phenyl-
• CAS No.: 20368-65-4
• Molecular Formula: C13H15NOS
• Molecular Weight: 233.334
• DSSTox Substance ID: DTXSID10449300

Synonyms:Cyclohexanecarbothioamide, 2-oxo-N-phenyl-;20368-65-4;DTXSID10449300

Chemical Property of Cyclohexanecarbothioamide, 2-oxo-N-phenyl-

Chemical Property:

• PSA: 68.23000
• LogP: 3.40570
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 233.08743528
• Heavy Atom Count: 16
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)C(=S)NC2=CC=CC=C2

Technology Process of Cyclohexanecarbothioamide, 2-oxo-N-phenyl-

There total 2 articles about Cyclohexanecarbothioamide, 2-oxo-N-phenyl- 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: 66.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + phenyl isothiocyanate (103-72-0) → cyclohexan-2-one-1-carbothionic acid anilide (20368-65-4)

Guidance literature:

cyclohexanone; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at -10 ℃; for 3h; Inert atmosphere;

phenyl isothiocyanate; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.3998/ark.5550190.p010.136

Reference yield:

→ cyclohexan-2-one-1-carbothionic acid anilide (20368-65-4)

Guidance literature:

Cyclohexanon, Phenylisothiocyanat, NaNH2/Bzl.;

Reference yield: 82.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + cyclohexan-2-one-1-carbothionic acid anilide (20368-65-4) + benzylamine (100-46-9) → 4-benzyl-2-phenyl-1-sulfanylidene-2,4-diazaspiro[5.5]undecan-7-one

Guidance literature:

With LACTIC ACID; In water; dimethyl sulfoxide; at 20 ℃;

DOI:10.3998/ark.5550190.p010.136

upstream raw materials:

cyclohexanone

phenyl isothiocyanate

Downstream raw materials:

3-amino-2-phenyl-1-sulfanylidene-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

[3-[(E)-Cyclopentylimino]-4,5,6,7-tetrahydro-3H-benzo[c]thiophen-(1E)-ylidene]-phenyl-amine

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