N-carbamothioyl-2-methylpropanamide

Base Information

• Chemical Name: N-carbamothioyl-2-methylpropanamide
• CAS No.: 6965-58-8
• Molecular Formula: C5H10 N2 O S
• Molecular Weight: 146.213
• European Community (EC) Number: 807-595-3
• NSC Number: 69209
• DSSTox Substance ID: DTXSID30393598
• Nikkaji Number: J3.209.909B

Synonyms:6965-58-8;N-Carbamothioylisobutyramide;(2-Methylpropanoyl)thiourea;N-carbamothioyl-2-methylpropanamide;isobutyryl-thiourea;N-isobutyrylthiourea;NSC69209;N-Isobutyryl-thiourea;NCIOpen2_000413;1-(2-Methylpropanoyl)thiourea;SCHEMBL1401028;DTXSID30393598;QDAGIMDDJUTAFV-UHFFFAOYSA-N;NSC 69209;NSC-69209;AKOS006337529;WS-00466;LS-160373;CS-0438361;D86343

Chemical Property of N-carbamothioyl-2-methylpropanamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.159g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.05138412
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)NC(=S)N

Technology Process of N-carbamothioyl-2-methylpropanamide

There total 2 articles about N-carbamothioyl-2-methylpropanamide 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: 60.0%

thiourea (17356-08-0) + isobutyryl chloride (79-30-1) → 2-methylpropionyl thiourea (6965-58-8)

Guidance literature:

In toluene; for 2h; Heating;

DOI:10.1016/j.jfluchem.2006.07.007

Reference yield:

S-isobutyryl-isothiourea; hydrochloride → 2-methylpropionyl thiourea (6965-58-8)

Guidance literature:

at 120 - 130 ℃;

Reference yield: 93.0%

2-chloro-1-(2,4-dihydroxyphenyl)ethanone (25015-92-3) + 2-methylpropionyl thiourea (6965-58-8) → N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)isobutyramide hydrochloride

Guidance literature:

for 12h; Reflux;

upstream raw materials:

thiourea

isobutyryl chloride

Downstream raw materials:

N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)isobutyramide

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