2-aminobenzenecarbothioic S-acid

Base Information

• Chemical Name: 2-aminobenzenecarbothioic S-acid
• CAS No.: 32187-15-8
• Molecular Formula: C7H7NOS
• Molecular Weight: 153.205
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80591860
• Nikkaji Number: J88.782J
• Wikidata: Q82485729
• Mol file: 32187-15-8.mol

Synonyms:32187-15-8;2-aminobenzenecarbothioic S-acid;2-Aminothiobenzoic acid;Thioanthranilsaure;2-amino-thiobenzoic acid;SCHEMBL975567;DTXSID80591860;2-Aminobenzene-1-carbothioic S-acid;DB-260770

Chemical Property of 2-aminobenzenecarbothioic S-acid

Chemical Property:

• PSA: 81.89000
• LogP: 1.92000
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.02483502
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-aminobenzenecarbothioic S-acid

There total 1 articles about 2-aminobenzenecarbothioic S-acid 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:

→ thioanthranilic acid (32187-15-8)

Guidance literature:

Isatosaeureanhydrid, H2S;

DOI:10.1021/ja00779a035

Reference yield: 90.0%

thioanthranilic acid (32187-15-8) + 1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one (37148-47-3) → S-[2-(4-amino-3,5-dichlorophenyl)-2-oxoethyl]-2-aminobenzenecarbothioate

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/ejoc.200900428

Reference yield: 80.0%

thioanthranilic acid (32187-15-8) + 4-chlorobenzoylmethyl bromide (536-38-9) → S-[2-(4-chlorophenyl)-2-oxoethyl]-2-aminobenzenecarbothioate (1189020-55-0)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/ejoc.200900428

Downstream raw materials:

C₁₇H₁₇NO₂S

S-[2-(3-chlorophenyl)-2-oxoethyl]-2-aminobenzenecarbothioate

C₁₇H₁₇NO₂S

S-[2-(2-bromophenyl)-2-oxoethyl]-2-aminobenzenecarbothioate

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