2-[(3-Methyl-2-thienyl)methylene]hydrazinecarbothioamide

Base Information

• Chemical Name: 2-[(3-Methyl-2-thienyl)methylene]hydrazinecarbothioamide
• CAS No.: 5425-42-3
• Molecular Formula: C₇H₉N₃S₂
• Molecular Weight: 199.301
• NSC Number: 12759
• ChEMBL ID: CHEMBL4211350
• Mol file: 5425-42-3.mol

Synonyms:5425-42-3;2-[(3-Methyl-2-thienyl)methylene]hydrazinecarbothioamide;Hydrazinecarbothioamide, 2-[(3-methyl-2-thienyl)methylene]-;NSC12759;CHEMBL4211350;NSC-12759;AKOS003407785;3-methyl-2-thiophenecarbaldehyde thiosemicarbazone

Chemical Property of 2-[(3-Methyl-2-thienyl)methylene]hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 7.18E-05mmHg at 25°C
• Boiling Point: 343.1°Cat760mmHg
• Flash Point: 161.3°C
• Density: 1.37g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.02378965
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1)C=NNC(=S)N
• Isomeric SMILES: CC1=C(SC=C1)/C=N/NC(=S)N

Technology Process of 2-[(3-Methyl-2-thienyl)methylene]hydrazinecarbothioamide

There total 2 articles about 2-[(3-Methyl-2-thienyl)methylene]hydrazinecarbothioamide 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: 88.0%

3-methyl-2-thiophenecarboxaldehdye (5834-16-2,699531-50-5) + thiosemicarbazide (79-19-6) → (E)-2-((3-methylthiophen-2-yl)methylene)hydrazinecarbothioamide (5425-42-3)

Guidance literature:

In ethanol; water; at 60 ℃;

DOI:10.1016/j.ejmech.2018.01.043

Reference yield:

→ (E)-2-((3-methylthiophen-2-yl)methylene)hydrazinecarbothioamide (5425-42-3)

Guidance literature:

aus Thiosemicarbazid, 3-Methyl-thienyl-2-carbaldehyd;

DOI:10.1021/jm00253a025

Reference yield:

(E)-2-((3-methylthiophen-2-yl)methylene)hydrazinecarbothioamide (5425-42-3) → 5-(3-Methyl-thiophen-2-yl)-[1,3,4]thiadiazol-2-ylamine (299933-32-7)

Guidance literature:

With iron(III) chloride; In ethanol; for 2h; Heating;

DOI:10.1021/jm00400a003

upstream raw materials:

3-methyl-2-thiophenecarboxaldehdye

thiosemicarbazide

Downstream raw materials:

5-(3-Methyl-thiophen-2-yl)-[1,3,4]thiadiazol-2-ylamine