4-[[5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid

CAS Registry Number®

78851-85-1

CAS Name

4-[[5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid

Molecular Formula

C6H8N4O5S2

Molecular Mass

280.28

Cite this Page

4-[[5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78851-85-1 (retrieved 2024-11-24) (CAS RN: 78851-85-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    232-236 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)

InChIKey

InChIKey=VEHPJMWKEUDKJE-UHFFFAOYSA-N

SMILES

S(N)(=O)(=O)C=1SC(NC(CCC(O)=O)=O)=NN1

Canonical SMILES

O=C(O)CCC(=O)NC1=NN=C(S1)S(=O)(=O)N

Other Names for this Substance

  • Butanoic acid, 4-[[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-
  • 4-[[5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid
  • NSC 698987
  • 4-Oxo-4-(5-sulfamoyl-1,3,4-thiadiazol-2-ylamino)butanoic acid

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