Benzthiazide
[CAS# 91-33-8]

Identification

• Classification: API >> Urinary system medication >> Diuretic
• Name: Benzthiazide
• Synonyms: 6-Chloro-1,1-Dioxo-3-[(Phenylmethylthio)Methyl]-4H-Benzo[E][1,2,4]Thiadiazine-7-Sulfonamide; 3-[(Benzylthio)Methyl]-6-Chloro-1,1-Diketo-4H-Benzo[E][1,2,4]Thiadiazine-7-Sulfonamide; Benzthiazide
• Molecular Formula: C₁₅H₁₄ClN₃O₄S₃
• Molecular Weight: 431.93
• CAS Registry Number: 91-33-8
• EINECS: 202-061-0
• SMILES: C1=C(Cl)C(=CC2=C1NC(=N[S]2(=O)=O)CSCC3=CC=CC=C3)[S](N)(=O)=O
• InChI: 1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)
• InChIKey: NDTSRXAMMQDVSW-UHFFFAOYSA-N

Properties

• Density: 1.667g/cm³ (Cal.)
• Boiling point: 680.642°C at 760 mmHg (Cal.)
• Flash point: 365.439°C (Cal.)

References

• (1): Abeer Fadda, Ana Carolina Fierro, Karen Lemmens, Pieter Monsieurs, Kristof Engelen and Kathleen Marchal. Inferring the transcriptional network of Bacillus subtilis, Mol. Biosyst., 2009, 5, 1840.