[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea

Base Information

• Chemical Name: [(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
• CAS No.: 71173-46-1
• Molecular Formula: C11H15N3O2S
• Molecular Weight: 253.325
• NSC Number: 42191
• DSSTox Substance ID: DTXSID60418001
• Nikkaji Number: J424.352H
• ChEMBL ID: CHEMBL2297587
• Mol file: 71173-46-1.mol

Synonyms:[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea;(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinecarbothioamide;NSC625219;71173-46-1;CHEMBL2297587;DTXSID60418001;NSC42191;NSC-42191;STL582448;AKOS040894448;1-(3,4-Dimethoxyphenyl)ethanone thiosemicarbazone;1-[1-(3,4-Dimethoxyphenyl)ethylidene]thiosemicarbazide

Chemical Property of [(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea

Chemical Property:

• Vapor Pressure: 2.84E-06mmHg at 25°C
• Boiling Point: 389.5°Cat760mmHg
• Flash Point: 189.4°C
• Density: 1.22g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 253.08849790
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea

There total 3 articles about [(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea 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: 95.0%

thiosemicarbazide (79-19-6) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 1-(1-(3,4-dimethoxyphenyl)ethylidene)thiosemicarbazide (71173-46-1)

Guidance literature:

In ethanol; for 5h; Reflux;

DOI:10.1155/2012/457949

Reference yield: 82.0%

thiosemicarbazide hydrochloride (4346-94-5) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 1-(1-(3,4-dimethoxyphenyl)ethylidene)thiosemicarbazide (71173-46-1)

Guidance literature:

With hydrogenchloride; In ethanol; water;

DOI:10.1007/s00044-012-0208-6

Reference yield:

thiosemicarbazide (79-19-6) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → (E)-2-(1-(3,4-dimethoxyphenyl)ethylidene)hydrazine-1-carbothioamide (71173-46-1)

Guidance literature:

With acetic acid; In ethanol; Sonication;

DOI:10.1111/cbdd.12951

upstream raw materials:

thiosemicarbazide

1-(3,4-dimethoxyphenyl)ethanone

thiosemicarbazide hydrochloride

Downstream raw materials:

C₂₉H₂₈N₃O₂PS

C₁₁H₁₃N₃O₂S₂