{[(5-Nitrofuran-2-yl)methylidene]amino}thiourea

Base Information

• Chemical Name: {[(5-Nitrofuran-2-yl)methylidene]amino}thiourea
• CAS No.: 831-71-0
• Molecular Formula: C₆H₆N₄O₃S
• Molecular Weight: 214.205
• Mol file: 831-71-0.mol

Synonyms:{[(5-nitrofuran-2-yl)methylidene]amino}thiourea;5-Nitrofurfurol Thiosemicarbazon;AKOS017263760

Chemical Property of {[(5-Nitrofuran-2-yl)methylidene]amino}thiourea

Chemical Property:

• Vapor Pressure: 5.01E-06mmHg at 25°C
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 381.6°Cat760mmHg
• Flash Point: 184.6°C
• PSA: 141.46000
• Density: 1.68g/cm³
• LogP: 1.96930
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 214.01606124
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

5-nitro-2-furaldehydethiosemicarbazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=S)N

Technology Process of {[(5-Nitrofuran-2-yl)methylidene]amino}thiourea

There total 5 articles about {[(5-Nitrofuran-2-yl)methylidene]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: 98.0%

5-nitrofurane-2-carboxaldehyde (698-63-5) + thiosemicarbazide (79-19-6) → 5-nitro-furfural thiosemicarbazone (831-71-0,146827-83-0)

Guidance literature:

In methanol; for 3h; Reflux;

DOI:10.1016/j.ejmech.2020.112178

Reference yield:

5-nitro-2-furfuraldehyde diacetate (92-55-7) + thiosemicarbazide (79-19-6) → 5-nitro-furfural thiosemicarbazone (831-71-0,146827-83-0)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h; Heating;

DOI:10.1016/j.bmcl.2005.02.073

Reference yield:

5-nitrofurane-2-carboxaldehyde (698-63-5) + thiosemicarbazide hydrochloride (4346-94-5) → 5-nitro-furfural thiosemicarbazone (831-71-0,146827-83-0)

Guidance literature:

With methanol; water; sodium acetate;

upstream raw materials:

5-nitrofurane-2-carboxaldehyde

thiosemicarbazide hydrochloride

thiosemicarbazide

1,2-bis((5-nitrofuran-2-yl)methylene)hydrazine

Downstream raw materials:

2-mercapto-5-(5-nitro-2-furyl)-1,3,4-thiadiazole

5-(5-nitro-furan-2-yl)-3H-[1,3,4]thiadiazole-2-thione

Refernces

• 1、 George, Shilpa E.,Guddat, Luke W.,Krishna, Vagolu Siva,Nallangi, Radhika,Rekha, Estharla Madhu,Sai Prasad, D. V.,Sriram, Dharmarajan,Zheng, Shan. "Design and development of ((4-methoxyphenyl)carbamoyl) (5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl)amide analogues as Mycobacterium tuberculosis ketol-acid reductoisomerase inhibitors". . . Retrieved 2020/03/19.
• 2、 Khalaj, Ali,Nakhjiri, Maryam,Negahbani, Amir Soheil,Samadizadeh, Marjaneh,Firoozpour, Loghman,Rajabalian, Saeed,Samadi, Nasrin,Faramarzi, Mohammad Ali,Adibpour, Neda,Shafiee, Abbas,Foroumadi, Alireza. "Discovery of a novel nitroimidazolyl-oxazolidinone hybrid with potent anti Gram-positive activity: Synthesis and antibacterial evaluation". scheme or table. p. 65 - 70. Retrieved 2011/02/25.