Pyrrolidine-1-carbothioamide

Base Information

• Chemical Name: Pyrrolidine-1-carbothioamide
• CAS No.: 40398-36-5
• Molecular Formula: C5H10N2S
• Molecular Weight: 130.214
• Hs Code.: 2933990090
• European Community (EC) Number: 845-643-5
• NSC Number: 239872
• DSSTox Substance ID: DTXSID90364401
• Nikkaji Number: J1.568.281G
• Mol file: 40398-36-5.mol

Synonyms:pyrrolidine-1-carbothioamide;40398-36-5;1-Pyrrolidinecarbothioamide;NSC239872;SCHEMBL1126889;SCHEMBL12116389;DTXSID90364401;HMS1783F07;MFCD00178436;STL261844;AKOS000200294;NSC 239872;NSC-239872;AC-17451;LS-04047;BB 0218298;CS-0213143;FT-0639643;EN300-08868;Z55928944;F2135-0600

Chemical Property of Pyrrolidine-1-carbothioamide

Chemical Property:

• Vapor Pressure: 0.133mmHg at 25°C
• Boiling Point: 217.4°Cat760mmHg
• Flash Point: 85.3°C
• PSA: 61.35000
• Density: 1.227g/cm³
• LogP: 0.96400
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 130.05646950
• Heavy Atom Count: 8
• Complexity: 96.6

Purity/Quality:

99% ^*data from raw suppliers

Pyrrolidine-1-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=S)N

Technology Process of Pyrrolidine-1-carbothioamide

There total 1 articles about Pyrrolidine-1-carbothioamide 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:

pyrrolidine (123-75-1) + O-ethyl thiocarbamate (625-57-0) → pyrrolidine-1-carbothioic acid amide (40398-36-5)

Guidance literature:

With potassium hydroxide;

Reference yield: 86.0%

pyrrolidine-1-carbothioic acid amide (40398-36-5) + 3,3-dichloro-1-(4-tolyl)-2-propen-1-one (41501-68-2) → 2-Pyrrolidin-1-yl-4-p-tolyl-[1,3]thiazine-6-thione (118200-05-8)

Guidance literature:

In methanol; acetic acid; for 2h; Heating;

DOI:10.1007/BF00810427

Reference yield: 82.0%

pyrrolidine-1-carbothioic acid amide (40398-36-5) + 3,3-dichloro-1-phenyl-propenone (10562-42-2) → 4-Phenyl-2-pyrrolidin-1-yl-[1,3]thiazine-6-thione (97309-67-6)

Guidance literature:

In methanol; acetic acid; for 2h; Heating;

DOI:10.1007/BF00810427

upstream raw materials:

pyrrolidine

O-ethyl thiocarbamate

Downstream raw materials:

4-Phenyl-2-pyrrolidin-1-yl-[1,3]thiazine-6-thione

2-Pyrrolidin-1-yl-4-p-tolyl-[1,3]thiazine-6-thione

4-(4-Bromo-phenyl)-2-pyrrolidin-1-yl-[1,3]thiazine-6-thione

4-(4-Methoxy-phenyl)-2-pyrrolidin-1-yl-[1,3]thiazine-6-thione