2-Naphthaldehyde thiosemicarbazone

Base Information

• Chemical Name: 2-Naphthaldehyde thiosemicarbazone
• CAS No.: 24091-06-3
• Molecular Formula: C12H11 N3 S
• Molecular Weight: 229.305
• NSC Number: 106604
• DSSTox Substance ID: DTXSID30416251
• ChEMBL ID: CHEMBL1818878
• Mol file: 24091-06-3.mol

Synonyms:2-Naphthaldehyde thiosemicarbazone;CHEMBL1818878;24091-06-3;MLS000568790;SCHEMBL21519402;DTXSID30416251;YGAUDXIKISOSGC-RIYZIHGNSA-N;2-Naphthaldehyde thiosemicarbazone #;BDBM50350997;NSC106604;STK053940;AKOS000483165;[(E)-2-naphthylmethyleneamino]thiourea;NSC-106604;SMR000175418;Naphthalene-2-carboxaldehyde, thiosemicarbazone;AB00076986-01;(2E)-2-(naphthalen-2-ylmethylidene)hydrazinecarbothioamide

Chemical Property of 2-Naphthaldehyde thiosemicarbazone

Chemical Property:

• Vapor Pressure: 3.04E-07mmHg at 25°C
• Boiling Point: 419.4°C at 760 mmHg
• Flash Point: 207.5°C
• Density: 1.24g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.06736854
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C=NNC(=S)N
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)/C=N/NC(=S)N

Technology Process of 2-Naphthaldehyde thiosemicarbazone

There total 3 articles about 2-Naphthaldehyde thiosemicarbazone 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%

thiosemicarbazide (79-19-6) + β-naphthaldehyde (66-99-9) → 2-(naphthalen-2-ylmethylidene)hydrazinocarbothioamide (24091-06-3)

Guidance literature:

With acetic acid; In ethanol; at 80 ℃; for 0.166667h; Microwave irradiation;

DOI:10.17179/excli2017-208

Reference yield:

→ 2-(naphthalen-2-ylmethylidene)hydrazinocarbothioamide (24091-06-3)

Guidance literature:

With iodine; sodium carbonate; potassium iodide;

Reference yield:

β-naphthaldehyde (66-99-9) → 2-(naphthalen-2-ylmethylidene)hydrazinocarbothioamide (24091-06-3)

Guidance literature:

upstream raw materials:

β-naphthaldehyde

thiosemicarbazide

Downstream raw materials:

2-naphthaldehyde-[4-(2-hydroxy-5-methoxyphenyl)-1,3-thiazol-2-yl]hydrazone

[BiCl₃(1-(2-methoxybenzylidene)thiosemicarbazide)(H₂O)]*H₂O