Cas no 87743-18-8 ( )

  structure
  structure
Product Name: 
CAS No:87743-18-8
MF:C6H10N4O6S3
MW:330.361796855927
CID:992832
PubChem ID:230714
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 2-aminobenzene-1,3,5-trisulfonamide
    • NSC25857
    • SCHEMBL14286193
    • BDBM26616
    • NCGC00013321-02
    • Compound 25857
    • NSC-25857
    • NCI25857
    • 87743-18-8
    • NCIStruc1_001053
    • NCGC00013321
    • DTXSID20282442
    • NCGC00096438-01
    • CHEMBL1491675
    • NCI60_002070
    • NCIStruc2_001270
    • CCG-36694
    • 2-amino-1,3,5-benzenetrisulfonamide
    • DS-008741
    •  
    • Inchi: 1S/C6H10N4O6S3/c7-6-4(18(9,13)14)1-3(17(8,11)12)2-5(6)19(10,15)16/h1-2H,7H2,(H2,8,11,12)(H2,9,13,14)(H2,10,15,16)
    • InChI Key: JVSIPBVRSZVDHF-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C=C(C=1N)S(N)(=O)=O)S(N)(=O)=O)(N)(=O)=O

Computed Properties

  • Exact Mass: 329.97624757g/mol
  • Monoisotopic Mass: 329.97624757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 595
  • 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: -2.5
  • Topological Polar Surface Area: 232?2

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