{[(2E)-3-phenylprop-2-en-1-ylidene]amino}thiourea

Base Information

• Chemical Name: {[(2E)-3-phenylprop-2-en-1-ylidene]amino}thiourea
• CAS No.: 62337-05-7
• Molecular Formula: C₁₀H₁₁N₃S
• Molecular Weight: 205.283
• DSSTox Substance ID: DTXSID501189701
• Mol file: 62337-05-7.mol

Synonyms:{[(2E)-3-phenylprop-2-en-1-ylidene]amino}thiourea;5351-70-2;DTXSID501189701;HMS2561P20;2-[(2E)-3-Phenyl-2-propen-1-ylidene]hydrazinecarbothioamide;62337-05-7

Chemical Property of {[(2E)-3-phenylprop-2-en-1-ylidene]amino}thiourea

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.06736854
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of {[(2E)-3-phenylprop-2-en-1-ylidene]amino}thiourea

There total 2 articles about {[(2E)-3-phenylprop-2-en-1-ylidene]amino}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: 96.0%

(E)-3-phenylpropenal (14371-10-9) + thiosemicarbazide (79-19-6) → 2-((E)-3-phenyl-2-propenylidene)-1-hydrazinecarbothioamide (62337-05-7)

Guidance literature:

In ethanol; for 8h; Reflux;

DOI:10.1016/j.jinorgbio.2019.110888

Reference yield: 49.0%

1-(2-cyanoethyl)-2-[(2E)-3-phenyl-2-propenylidene]-1-hydrazinecarbothioamide → 3-{1-(aminocarbothioyl)-2-[(2E)-3-phenyl-2-propenylidene]hydrazino}propanamide + 2-((E)-3-phenyl-2-propenylidene)-1-hydrazinecarbothioamide (62337-05-7)

Guidance literature:

1-(2-cyanoethyl)-2-[(2E)-3-phenyl-2-propenylidene]-1-hydrazinecarbothioamide; With potassium hydroxide; In ethanol; at 50 - 52 ℃; for 6h;

With hydrogenchloride; In ethanol; water; at 20 ℃; for 1h; pH=5 - 6;

DOI:10.1080/00397911.2016.1257723

Reference yield: 60.0%

2-((E)-3-phenyl-2-propenylidene)-1-hydrazinecarbothioamide (62337-05-7) + copper(II) acetate monohydrate (6046-93-1) → C20H20CuN6S2

Guidance literature:

In ethanol; at 20 ℃; for 2h;

DOI:10.1016/j.jinorgbio.2019.110888

upstream raw materials:

(E)-3-phenylpropenal

thiosemicarbazide

Downstream raw materials:

5-[(E)-2-phenylethenyl]-1,3,4-thidiazol-2-amine

trans-cinnamaldehyde-(4-methyl-thiazol-2-ylhydrazone)

thiazolidine-2,4-dione-2-trans-cinnamylidenehydrazone

[(benzyl)3tin(IV)(cinnamaldehyde thiosemicarbazone(-H))]