N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Base Information

• Chemical Name: N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide
• CAS No.: 6188-22-3
• Molecular Formula: C20H20ClN3O3S2
• Molecular Weight: 406.4958
• DSSTox Substance ID: DTXSID00366719

Synonyms:6188-22-3;850911-25-0;N-[(2Z)-4-chloro-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide;N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide;DTXSID00366719;AKOS024584515;(Z)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-4-(pyrrolidin-1-ylsulfonyl)benzamide;EU-0020495;F0566-0479

Chemical Property of N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Chemical Property:

• Vapor Pressure: 1.59E-15mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.254g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 449.0634615
• Heavy Atom Count: 29
• Complexity: 741

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

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