Cas no 22278-82-6 (4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one)

4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one structure
22278-82-6 structure
Product Name:4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one
CAS No:22278-82-6
MF:C9H8N4OS
MW:220.251019477844
MDL:MFCD03414528
CID:1071415
PubChem ID:4096251
Update Time:2025-04-20

4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one
    • 4-amino-6-phenyl-3-sulfanyl-1,2,4-triazin-5(4H)-one
    • SCHEMBL11385843
    • 22278-82-6
    • AKOS002682516
    • 4-amino-6-phenyl-3-thioxo-2,3-dihydro-1,2,4-triazine-5(4h)-one
    • CHEMBL2204890
    • STK519282
    • 4-amino-6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
    • DTXSID00399269
    • MDL: MFCD03414528
    • Inchi: 1S/C9H8N4OS/c10-13-8(14)7(11-12-9(13)15)6-4-2-1-3-5-6/h1-5H,10H2,(H,12,15)
    • InChI Key: URPPDVOLORWAAP-UHFFFAOYSA-N
    • SMILES: S=C1NN=C(C(N1N)=O)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 220.04204
  • Monoisotopic Mass: 220.04188206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 322
  • 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: 1.8
  • Topological Polar Surface Area: 103?2

Experimental Properties

  • PSA: 70.72

4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Matrix Scientific
077489-500mg
4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one
22278-82-6
500mg
$252.00 2023-09-05
Matrix Scientific
077489-1g
4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one
22278-82-6
1g
$315.00 2023-09-05
Matrix Scientific
077489-5g
4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one
22278-82-6
5g
$1050.00 2023-09-05
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