Cyclohexanecarbothioamide

Base Information

• Chemical Name: Cyclohexanecarbothioamide
• CAS No.: 7390-42-3
• Molecular Formula: C7H13NS
• Molecular Weight: 143.253
• European Community (EC) Number: 866-988-8,935-587-0
• Nikkaji Number: J2.278.803E
• Mol file: 7390-42-3.mol

Synonyms:cyclohexanecarbothioamide;7390-42-3;MFCD06191625;Cyclohexanecarbothioic acid amide;cyclohexane thioamide;cyclohexanethiocarboxamide;SCHEMBL996354;SCHEMBL21417139;JMMKXVYQBRGGJF-UHFFFAOYSA-N;AKOS000148543;LS-07313;CS-0248524;EN300-40100

Chemical Property of Cyclohexanecarbothioamide

Chemical Property:

• Melting Point: 116 °C
• Boiling Point: 238.5±23.0 °C(Predicted)
• PKA: 13.12±0.20(Predicted)
• PSA: 23.79000
• Density: 1.079±0.06 g/cm3(Predicted)
• LogP: 2.52008
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 143.07687059
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

≥98%, ^*data from raw suppliers

cyclohexanecarbothioamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=S)N

Technology Process of Cyclohexanecarbothioamide

There total 3 articles about Cyclohexanecarbothioamide 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: 97.0%

cyclohexylcarboxamide (1122-56-1) → cyclohexanecarbothioamide (7390-42-3)

Guidance literature:

With Lawessons reagent; In toluene; at 20 ℃; for 0.15h;

Reference yield: 94.0%

cyclohexane carbonitrile (766-05-2) → cyclohexanecarbothioamide (7390-42-3)

Guidance literature:

With diammonium sulfide; 1,6-bis(3-methylimidazolium-1-yl)hexane dichloride; at 70 ℃; for 0.25h;

DOI:10.1007/BF03246065

Reference yield:

→ cyclohexanecarbothioamide (7390-42-3)

Guidance literature:

upstream raw materials:

cyclohexane carbonitrile

cyclohexylcarboxamide

Downstream raw materials:

4-(4-chloro-phenyl)-6-cyclohexyl-2,2-diphenyl-4H-[1,3,5]dithiazine

N-Acetyl-thiocyclohexancarbonsaeureamid

N-Cyclohexanecarbothioyl-2-phenyl-acetamide

Cyclohexanecarbothioic acid (methoxy-phenyl-methyl)-amide