Benzenecarbothioamide, 4-nitro-N-phenyl-

Base Information

• Chemical Name: Benzenecarbothioamide, 4-nitro-N-phenyl-
• CAS No.: 6244-77-5
• Molecular Formula: C13H10N2O2S
• Molecular Weight: 258.301
• DSSTox Substance ID: DTXSID40462729
• Nikkaji Number: J1.855.850E
• Wikidata: Q82287306
• Mol file: 6244-77-5.mol

Synonyms:Benzenecarbothioamide, 4-nitro-N-phenyl-;6244-77-5;4-NITRO-N-PHENYLBENZENECARBOTHIOAMIDE;Oprea1_289296;SCHEMBL10979651;DTXSID40462729

Chemical Property of Benzenecarbothioamide, 4-nitro-N-phenyl-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 258.04629874
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Benzenecarbothioamide, 4-nitro-N-phenyl-

There total 9 articles about Benzenecarbothioamide, 4-nitro-N-phenyl- 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: 85.3%

aniline (62-53-3) + 4-nitrobenzoyl (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl) sulfide (317818-11-4) → 4-nitro-N-phenylthiobenzamide (6244-77-5)

Guidance literature:

4-nitrobenzoyl (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl) sulfide; With 5,5-dimethyl-2-thiolo-2-thiono-1,3,2-dioxaphosphorinane; In benzene; for 4h; Heating;

aniline; With triethylamine; In benzene; Further stages.;

DOI:10.1039/b201233b

Reference yield: 60.0%

4-nitrobenzanilide (3460-11-5) → 4-nitro-N-phenylthiobenzamide (6244-77-5)

Guidance literature:

With Lawessons reagent; In chlorobenzene; at 135 ℃;

DOI:10.1016/j.bmc.2010.04.082

Reference yield: 60.0%

→ 4-nitro-N-phenylthiobenzamide (6244-77-5)

Guidance literature:

upstream raw materials:

4-nitrobenzanilide

aniline

4-Nitrodithiobenzoesaeurephenylester

4-Nitro-dithiobenzoic acid p-tolyl ester

Downstream raw materials:

2-(4-nitrophenyl)benzothiazole

2,5-bis-(4-nitro-phenyl)-4-oxo-3-phenyl-4,5-dihydro-thiazolium betaine

Aethyl-<4-nitro-α-phenylimino-benzyl>-disulfid

tert-Butyl-<4-nitro-α-phenylimino-benzyl>-disulfid