[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate

Base Information

• Chemical Name: [3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
• CAS No.: 6084-65-7
• Molecular Formula: C17H13NO4S3
• Molecular Weight: 391.4844
• DSSTox Substance ID: DTXSID00367448
• Wikidata: Q82153296

Synonyms:6084-65-7;[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate;AC1M4VAQ;DTXSID00367448;BIM-0044831.P001

Chemical Property of [3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.53g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 391.00067142
• Heavy Atom Count: 25
• Complexity: 660

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C3C(=O)NC(=S)S3
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)NC(=S)S3

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