2-(Methylsulfanyl)benzenecarbohydrazide

Base Information

• Chemical Name: 2-(Methylsulfanyl)benzenecarbohydrazide
• CAS No.: 885949-42-8
• Molecular Formula: C8H10N2OS
• Molecular Weight: 182.246
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00377325
• Wikidata: Q82166502
• Mol file: 885949-42-8.mol

Synonyms:2-(Methylsulfanyl)benzenecarbohydrazide;885949-42-8;2-methylsulfanylbenzohydrazide;2-(methylsulfanyl)benzohydrazide;2-(Methylthio)benzohydrazide;SCHEMBL6939026;DTXSID00377325;MFCD06200979;AKOS005070936;6K-632S;J-506496

Chemical Property of 2-(Methylsulfanyl)benzenecarbohydrazide

Chemical Property:

• Melting Point: 102-104°C
• PKA: 12.31±0.10(Predicted)
• PSA: 80.42000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 2.10320
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 182.05138412
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

2-(Methylthio)benzoic acid hydrazide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC=C1C(=O)NN

Technology Process of 2-(Methylsulfanyl)benzenecarbohydrazide

There total 2 articles about 2-(Methylsulfanyl)benzenecarbohydrazide 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:

methyl 2-(methylthio)benzoate (3704-28-7) → 2-methylthiobenzohydrazide (885949-42-8)

Guidance literature:

With hydrazine hydrate;

DOI:10.1021/jo50016a019

Reference yield:

Methyl thiosalicylate (4892-02-8) → 2-methylthiobenzohydrazide (885949-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / ethanol

2: N₂H₄*H₂O / ethanol

With sodium hydroxide; hydrazine hydrate; In ethanol;

DOI:10.1021/jm00293a023

Reference yield:

2-methylthiobenzohydrazide (885949-42-8) → 2-(methylsulfanyl)benzaldehyde (7022-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Py

2: Na₂CO₃ / ethane-1,2-diol / 160 °C

With pyridine; sodium carbonate; In ethylene glycol;

DOI:10.1021/jm00341a011

upstream raw materials:

methyl 2-(methylthio)benzoate

Methyl thiosalicylate

Downstream raw materials:

2-(methylsulfanyl)benzaldehyde

2-Nitro-1-(2-methylmercapto-phenyl)-propen-⁽¹⁾