2-[(4-Chlorophenyl)sulfonyl]ethanethioamide

Base Information

• Chemical Name: 2-[(4-Chlorophenyl)sulfonyl]ethanethioamide
• CAS No.: 59865-87-1
• Molecular Formula: C8H8 Cl N O2 S2
• Molecular Weight: 249.74
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20372498
• Nikkaji Number: J267.382G
• Wikidata: Q82160242
• Mol file: 59865-87-1.mol

Synonyms:59865-87-1;2-[(4-CHLOROPHENYL)SULFONYL]ETHANETHIOAMIDE;2-((4-Chlorophenyl)sulfonyl)ethanethioamide;2-(4-chlorophenyl)sulfonylethanethioamide;2-(4-Chlorophenylsulfonyl)thioacetamide;2-(4-chlorobenzenesulfonyl)ethanethioamide;Maybridge1_008491;Oprea1_847413;SCHEMBL5472562;HMS565J21;DTXSID20372498;MFCD00052824;AKOS025117201;AS-66043;2-[(4-Chlorophenyl)sulfonyl]thioacetamide;(4-Chlorobenzene-1-sulfonyl)ethanethioamide;CS-0132324;FT-0610809;E81581;2-[(4-chlorophenyl)sulfonyl]ethanethioamide, AldrichCPR

Chemical Property of 2-[(4-Chlorophenyl)sulfonyl]ethanethioamide

Chemical Property:

• Vapor Pressure: 2.06E-08mmHg at 25°C
• Melting Point: 188 °C
• Boiling Point: 453.5°C at 760 mmHg
• Flash Point: 228°C
• PSA: 100.63000
• Density: 1.483g/cm³
• LogP: 3.18090
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 248.9684985
• Heavy Atom Count: 14
• Complexity: 302

Purity/Quality:

98%Min ^*data from raw suppliers

2-[(4-Chlorophenyl)sulfonyl]ethanethioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)CC(=S)N)Cl

Technology Process of 2-[(4-Chlorophenyl)sulfonyl]ethanethioamide

There total 1 articles about 2-[(4-Chlorophenyl)sulfonyl]ethanethioamide 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:

2-(4-chlorobenzenesulfonyl)acetonitrile (1851-09-8) → 2-(4-chloro-benzenesulfonyl)-thioacetamide (59865-87-1)

Guidance literature:

With hydrogen sulfide; ammonia;

Reference yield: 64.0%

3-bromocyclohexane-1,2-dione (24829-91-2) + 2-(4-chloro-benzenesulfonyl)-thioacetamide (59865-87-1) → C14H12ClNO3S2 (1314243-65-6)

Guidance literature:

In ethanol; for 15h; Reflux;

DOI:10.1016/j.tetlet.2011.05.028

Reference yield:

5-(2-Bromo-acetyl)-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid ethyl ester (727382-86-7) + 2-(4-chloro-benzenesulfonyl)-thioacetamide (59865-87-1) → ethyl 5-[2-({[(4-chlorophenyl)methyl]sulfonyl}methyl)(1,3-thiazol-4-yl)]-2-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate

Guidance literature:

In ethanol; at 150 ℃; for 0.116667h;

upstream raw materials:

2-(4-chlorobenzenesulfonyl)acetonitrile

Downstream raw materials:

2-(4-chloro-benzenesulfonylmethyl)-4-methyl-thiazole-5-carboxylic acid anilide

2-(4-chloro-benzenesulfonylmethyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester

C₁₈H₁₃Cl₂NO₄S₂

C₁₄H₁₂ClNO₃S₂

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