Benzthiazide

CAS Registry Number®

91-33-8
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CAS Name

Benzthiazide

Molecular Formula

C15H14ClN3O4S3

Molecular Mass

431.94

Cite this Page

Benzthiazide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=91-33-8 (retrieved 2024-05-20) (CAS RN: 91-33-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231-232 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

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

InChIKey=NDTSRXAMMQDVSW-UHFFFAOYSA-N

SMILES

O=S1(=O)C=2C(NC(CSCC3=CC=CC=C3)=N1)=CC(Cl)=C(S(N)(=O)=O)C2

Canonical SMILES

O=S1(=O)N=C(NC2=CC(Cl)=C(C=C21)S(=O)(=O)N)CSCC=3C=CC=CC3

Other Names for this Substance

  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[[(phenylmethyl)thio]methyl]-, 1,1-dioxide
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-[(benzylthio)methyl]-6-chloro-, 1,1-dioxide
  • P 1393
  • Aquatag
  • Benzothiazide

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