1-(N-nitrocarbamimidoyl)-3-(prop-2-en-1-yl)thiourea

Base Information

• Chemical Name: 1-(N-nitrocarbamimidoyl)-3-(prop-2-en-1-yl)thiourea
• CAS No.: 343374-78-7
• Molecular Formula: C₅H₉N₅O₂S
• Molecular Weight: 203.225
• Mol file: 343374-78-7.mol

Synonyms:343374-78-7;1-(N-nitrocarbamimidoyl)-3-(prop-2-en-1-yl)thiourea;1-nitro 3-(N-allyl thiocarbamoyl) guanidine;DTXSID901220604;MFCD01443749;AKOS005096187;6N-721;(1E)-1-[amino(nitramido)methylidene]-3-prop-2-enylthiourea

Chemical Property of 1-(N-nitrocarbamimidoyl)-3-(prop-2-en-1-yl)thiourea

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.04769572
• Heavy Atom Count: 13
• Complexity: 246

Purity/Quality:

1-Nitro 3-(N-allyl thiocarbamoyl) guanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCNC(=S)N=C(N)N[N+](=O)[O-]
• Isomeric SMILES: C=CCNC(=S)/N=C(\N)/N[N+](=O)[O-]

Technology Process of 1-(N-nitrocarbamimidoyl)-3-(prop-2-en-1-yl)thiourea

There total 1 articles about 1-(N-nitrocarbamimidoyl)-3-(prop-2-en-1-yl)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:

nitroguanidine (556-88-7) + N-allyl isothiocyanate (57-06-7,58391-87-0) → 1-allyl-3-(N-nitroamidino)thiourea (343374-78-7)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1002/jhet.106

Reference yield: 48.0%

1-allyl-3-(N-nitroamidino)thiourea (343374-78-7) + 1,4-bis(bromoacetyl)benzene (946-03-2) → [4-(2-allylamino-4-aminothiazole-5-carbonyl)phenyl]-(2-allylamino-4-aminothiazol-5-yl)methanone (1174909-49-9)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 50 - 60 ℃; for 0.25h;

DOI:10.1002/jhet.106

upstream raw materials:

nitroguanidine

N-allyl isothiocyanate

Downstream raw materials:

[4-(2-allylamino-4-aminothiazole-5-carbonyl)phenyl]-(2-allylamino-4-aminothiazol-5-yl)methanone

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