Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester

Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester structural formula

CAS Number51988-14-8
Molecular FormulaC9H6N2OS3
Molecular Weight254.340
InChI KeyKIFSWJVHFMQPOS-UHFFFAOYSA-N
LogP2.39
Synonyms
  • Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester
  • S-(5-Sulfanyl-1,3,4-thiadiazol-2-yl) benzenecarbothioate
  • Benzenecarbothioic acid, S-(5-mercapto-1,3,4-thiadiazol-2-yl) ester
  • 51988-14-8
  • EINECS 257-581-0
  • 5-Mercapto-1,3,4-thiadiazole-2-thiol benzoate
  • 103288-85-3

Applications:

Separation of Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester on Newcrom R1 HPLC column

February 16, 2018
Separation of Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester on Newcrom C18 HPLC column

Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester can be analyzed by this reverse phase (RP) HPLC method with simple conditions. The mobile phase contains an acetonitrile (MeCN), water, and phosphoric acid. For Mass-Spec (MS) compatible applications the phosphoric acid needs to be replaced with formic acid. Smaller 3 µm particles columns available for fast UPLC applications. This liquid chromatography method is scalable and can be used for isolation impurities in preparative separation. It also suitable for pharmacokinetics.

Application Column

Newcrom R1

The Newcrom columns are a family of reverse-phase-based columns. Newcrom A, AH, B, and BH are all mixed-mode columns with either positive or negative ion-pairing groups attached to either short (25 Å) or long (100 Å) ligand chains. Newcrom R1 is a special reverse-phase column with low silanol activity.

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Application Analytes:
Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester
The result was obtained by a proprietary SIELC algorithm. It may deviate from the actual experimental data. The experimental data are available upon request. Contact us before ordering the column as there may be a more suitable column alternative by either e-mail: support@sielc.com or by phone: 847-229-2629.