N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide

Base Information

Chemical Name:N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide
CAS No.:6401-50-9
Molecular Formula:C₉H₁₅N₃O₂
Molecular Weight:197.237
Hs Code.:
DSSTox Substance ID:DTXSID90981915
Wikidata:Q82968443

Synonyms:6401-50-9;DTXSID90981915;STK070393;AKOS000452465;N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide;N-({[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]amino}carbonothioyl)-3-chloro-4-methoxybenzamide;N-[{[3-(1,3-Benzothiazol-2-yl)-4-chlorophenyl]imino}(sulfanyl)methyl]-3-chloro-4-methoxybenzene-1-carboximidic acid

Suppliers and Price of N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide

Chemical Property:

Density:1.486g/cm³
XLogP3:6.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:486.9982745
Heavy Atom Count:31
Complexity:658

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)Cl

Technology Process of N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide

There total 6 articles about N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide 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:

: C₇H₁₃NO₂S

: 540-61-4
2-aminoacetonitrile

: 6401-50-9
N-(N-Acetyl-DL-valyl)-aminoacetonitril

Guidance literature:: With hydrogenchloride; sodium hydroxide; potassium hexacyanoferrate(III); In water; water-d2; at 20 ℃; for 0.333333h; pH=9; Temperature; Time; chemoselective reaction;
DOI:10.1038/s41586-019-1371-4

Reference yield:

: 27395-07-9
2-acetamido-3,3-dimethylpropionitrile

: 6401-50-9
N-(N-Acetyl-DL-valyl)-aminoacetonitril

Guidance literature:: Multi-step reaction with 3 steps

1: sodium monohydrogen sulfide x-hydrate / water; water-d2 / 24 h / 20 °C / pH 9

2: sodium hydroxide; sodium monohydrogen sulfide x-hydrate; hydrogenchloride / water; water-d2 / 60 °C / pH 9

3: sodium hydroxide; potassium hexacyanoferrate(III); hydrogenchloride / water; water-d2 / 0.33 h / 20 °C / pH 9

With hydrogenchloride; sodium monohydrogen sulfide x-hydrate; sodium hydroxide; potassium hexacyanoferrate(III); In water; water-d2;
DOI:10.1038/s41586-019-1371-4

Reference yield:

: C₇H₁₄N₂OS

: 6401-50-9
N-(N-Acetyl-DL-valyl)-aminoacetonitril

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide; sodium monohydrogen sulfide x-hydrate; hydrogenchloride / water; water-d2 / 60 °C / pH 9

2: sodium hydroxide; potassium hexacyanoferrate(III); hydrogenchloride / water; water-d2 / 0.33 h / 20 °C / pH 9

With hydrogenchloride; sodium monohydrogen sulfide x-hydrate; sodium hydroxide; potassium hexacyanoferrate(III); In water; water-d2;
DOI:10.1038/s41586-019-1371-4