Cas no 124861-91-2 (Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide)

Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide structure
124861-91-2 structure
Product Name:Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide
CAS No:124861-91-2
MF:C15H17N5O6S2
MW:427.45538020134
CID:151057
PubChem ID:3079257
Update Time:2025-04-19

Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide
    • methyl N-[4-[[[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
    • DTXSID70154509
    • Butanoic acid, 4-oxo-4-(2-thiazolylamino)-, 2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazide
    • BRN 4217621
    • 124861-91-2
    • Inchi: 1S/C15H17N5O6S2/c1-26-15(23)17-10-2-4-11(5-3-10)28(24,25)20-19-13(22)7-6-12(21)18-14-16-8-9-27-14/h2-5,8-9,20H,6-7H2,1H3,(H,17,23)(H,19,22)(H,16,18,21)
    • InChI Key: XTJPQRUBEQTJDS-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)NC(=O)OC)(NNC(CCC(NC1=NC=CS1)=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 427.06221
  • Monoisotopic Mass: 427.062
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 9
  • Complexity: 660
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 192?2

Experimental Properties

  • Density: 1.534
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.642
  • PSA: 155.59

Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide Related Literature

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