2-(1,3-Benzothiazol-2-ylthio)succinic acid

Base Information

• Chemical Name: 2-(1,3-Benzothiazol-2-ylthio)succinic acid
• CAS No.: 95154-01-1
• Molecular Formula: C11H9NO4S2
• Molecular Weight: 283.329
• Hs Code.: 2934200090
• European Community (EC) Number: 401-450-4,619-111-6
• DSSTox Substance ID: DTXSID20888625
• Nikkaji Number: J111.280E
• Mol file: 95154-01-1.mol

Synonyms:95154-01-1;2-(1,3-benzothiazol-2-ylthio)succinic acid;2-(Benzo[d]thiazol-2-ylthio)succinic acid;(2-Benzothiazolylthio)butanedioic acid;2-(1,3-benzothiazol-2-ylsulfanyl)butanedioic acid;(Benzothiazol-2-ylthio)succinic acid;Butanedioic acid, (2-benzothiazolylthio)-;C11H9NO4S2;Butanedioic acid, 2-(2-benzothiazolylthio)-;(2-benzothiazolylthio) butanedioic acid;2-(Benzo[d]thiazol-2-ylthio)succinicacid;SCHEMBL402778;DTXSID20888625;C11-H9-N-O4-S2;MFCD00134692;AKOS015900629;AS-13411;2-(benzothiazol-2-ylsulfanyl)-succinic acid;CS-0155905;FT-0642296;2-(1,3-benzothiazol-2-yl thio)succinic acid;F15534;A845193;J-505297

Chemical Property of 2-(1,3-Benzothiazol-2-ylthio)succinic acid

Chemical Property:

• Vapor Pressure: 6.09E-10mmHg at 25°C
• Refractive Index: 1.718
• Boiling Point: 456.6 °C at 760 mmHg
• PKA: 3.10±0.23(Predicted)
• Flash Point: 229.9 °C
• PSA: 141.03000
• Density: 1.6 g/cm³
• LogP: 2.31630
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)
• Water Solubility.: 180g/L at 20℃
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 282.99730012
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

2-(1,3-Benzothiazol-2-ylthio)succinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 24-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SC(CC(=O)O)C(=O)O

Technology Process of 2-(1,3-Benzothiazol-2-ylthio)succinic acid

There total 1 articles about 2-(1,3-Benzothiazol-2-ylthio)succinic 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: 98.09%

2-Mercaptobenzothiazole (149-30-4,118090-09-8) + C4H3BrO4(2-)*2Na(1+) → 2-(1,3-benzothiazol-2-thio)succinic acid (95154-01-1)

Guidance literature:

2-Mercaptobenzothiazole; With sodium hydroxide; sodium sulfite; In water; at 55 ℃; for 1h; pH=9; Inert atmosphere;

C₄H₃BrO₄^(2-)*2Na⁽¹⁺⁾; at 50 - 60 ℃; for 4h; pH=7-8; Temperature;

upstream raw materials:

2-Mercaptobenzothiazole

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