N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-β-alanine

CAS Registry Number®

405279-59-6

CAS Name

N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-β-alanine

Molecular Formula

C9H9N3O4S2

Molecular Mass

287.32

Cite this Page

N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=405279-59-6 (retrieved 2024-11-25) (CAS RN: 405279-59-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176.1-176.3 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9N3O4S2/c13-8(14)4-5-10-18(15,16)7-3-1-2-6-9(7)12-17-11-6/h1-3,10H,4-5H2,(H,13,14)

InChIKey

InChIKey=MRJJNXSJOOEQAA-UHFFFAOYSA-N

SMILES

S(NCCC(O)=O)(=O)(=O)C=1C=2C(C=CC1)=NSN2

Canonical SMILES

O=C(O)CCNS(=O)(=O)C1=CC=CC2=NSN=C21

Other Names for this Substance

  • β-Alanine, N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-
  • N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-β-alanine

CAS INSIGHTSTM
Hourglass and a clock