n-(3-Methoxyphenyl)hydrazinecarbothioamide

Base Information

• Chemical Name: n-(3-Methoxyphenyl)hydrazinecarbothioamide
• CAS No.: 42135-73-9
• Molecular Formula: C8H11N3OS
• Molecular Weight: 197.261
• Hs Code.: 2930909090
• NSC Number: 201981
• DSSTox Substance ID: DTXSID50354444
• Mol file: 42135-73-9.mol

Synonyms:n-(3-methoxyphenyl)hydrazinecarbothioamide;42135-73-9;3-amino-1-(3-methoxyphenyl)thiourea;1-amino-3-(3-methoxyphenyl)thiourea;NSC201981;ChemDiv3_013077;SCHEMBL23220318;DTXSID50354444;HMS1510C09;MFCD00041290;AKOS000116161;NSC-201981;N-(3-methoxyphenyl)hydrazine carbothioamide;CS-0219356;EN300-03802;Z56828900

Chemical Property of n-(3-Methoxyphenyl)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 0.000228mmHg at 25°C
• Refractive Index: 1.682
• Boiling Point: 325.6 °C at 760 mmHg
• Flash Point: 150.7 °C
• PSA: 91.40000
• Density: 1.311 g/cm³
• LogP: 2.01950
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.06228316
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

N-(3-METHOXYPHENYL)HYDRAZINECARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)NC(=S)NN

Technology Process of n-(3-Methoxyphenyl)hydrazinecarbothioamide

There total 11 articles about n-(3-Methoxyphenyl)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-methoxyphenyl isothiocyanate (3125-64-2) → 4-(m-methoxyphenyl)thiosemicarbazide (42135-73-9)

Guidance literature:

With hydrazine; In water; isopropyl alcohol; at 20 ℃; for 0.5h;

DOI:10.1021/jm9014394

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + m-Anisidine (536-90-3,918666-97-4) → 4-(m-methoxyphenyl)thiosemicarbazide (42135-73-9)

Guidance literature:

carbon disulfide; m-Anisidine; With sodium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

With hydrazine hydrate; In N,N-dimethyl-formamide; at 65 ℃;

DOI:10.1007/s00044-021-02759-w

Reference yield:

C10H11N2O3S(1-)*Na(1+) → 4-(m-methoxyphenyl)thiosemicarbazide (42135-73-9)

Guidance literature:

With hydrazine hydrate;

DOI:10.1016/j.bmcl.2019.126726

upstream raw materials:

m-Anisidine

m-Methoxythioformanilid

3-methoxyphenyl isothiocyanate

C₁₀H₁₀NO₃S₂^(1-)*Na⁽¹⁺⁾

Downstream raw materials:

m-CH₃OC₆H₄-ferrocenylthiosemicarbazone

indole-3-carboxaldehyde 4-(m-methoxyphenyl)-3-thiosemicarbazone

N-(3-methoxyphenyl)-2-(quinolin-2-ylmethylene)hydrazinecarbothioamide

5-(3-methoxy-anilino)-3H-[1,3,4]thiadiazole-2-thione

Refernces

• 1、 Zhu, Jiahui,Teng, Guosheng,Li, Dongfeng,Hou, Ruibin,Xia, Yan. "Synthesis and antibacterial activity of novel Schiff bases of thiosemicarbazone derivatives with adamantane moiety". . p. 1534 - 1540. Retrieved 2021/06/16.
• 2、 Darji, Drashti G.,Patel, Dhaval B.,Patel, Hitesh D.,Patel, Krupa R.,Rajani, Dhanji P.,Rajani, Smita D.. "Synthesis of novel quinoline-thiosemicarbazide hybrids and evaluation of their biological activities, molecular docking, molecular dynamics, pharmacophore model studies, and ADME-Tox properties". . . Retrieved 2020/02/13.