Cas no 7338-78-5 (3-(5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid)

3-(5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid structure
7338-78-5 structure
Product Name:3-(5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
CAS No:7338-78-5
MF:C6H7N3O3S
MW:201.203079462051
MDL:MFCD00710858
CID:574467
PubChem ID:1419129
Update Time:2025-04-19

3-(5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Triazine-6-propanoicacid, 2,3,4,5-tetrahydro-5-oxo-3-thioxo-
    • 3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONIC ACID
    • 1,2,4-triazine-6-propanoic acid, 4,5-dihydro-3-mercapto-5-oxo-
    • 1,2,4-triazine-6-propanoic acid, 5-hydroxy-3-mercapto-
    • 3-(5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid
    • 3-(5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
    • 3-(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoicacid
    • CHEMBL1363181
    • AKOS005545562
    • SB73420
    • CS-0218393
    • SR-01000107000-1
    • AKOS000114801
    • 3-(3-mercapto-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
    • (R)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLICACIDAMIDE
    • MFCD00710858
    • EN300-00837
    • F2111-0012
    • VS-02308
    • 3-(5-Oxo-3-sulfanyl-2,5-dihydro-1,2,4-triazin-6-yl)propanoic acid #
    • EU-0002060
    • 3-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid
    • HMS2250G12
    • Oprea1_106910
    • Z56823004
    • SR-01000107000
    • HMS1656C15
    • 2,3,4,5-Tetrahydro-5-oxo-3-thioxo-1,2,4-triazine-6-propanoic acid
    • SMR000015735
    • 3-(3-Mercapto-5-oxo-4,5-dihydro-[1,2,4]triazin-6-yl)-propionic acid
    • MLS000100434
    • AKOS025119012
    • DTXSID00362897
    • 3-(5-Oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)propionic acid
    • AB00674530-01
    • SCHEMBL5791378
    • J-510770
    • YWUNWMADAOHUTF-UHFFFAOYSA-N
    • 3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid
    • 6-[2-Carboxyethyl]-3-mercapto-5-oxo-2,5-dihydro-1,2,4-triazine
    • 7338-78-5
    • AKOS005612980
    • AG-690/12884488
    • STK610098
    • 3-(5-hydroxy-3-sulfanyl-1,2,4-triazin-6-yl)propanoic acid
    • STL301436
    • STK801429
    • BBL010071
    • G31347
    • MDL: MFCD00710858
    • Inchi: 1S/C6H7N3O3S/c10-4(11)2-1-3-5(12)7-6(13)9-8-3/h1-2H2,(H,10,11)(H2,7,9,12,13)
    • InChI Key: YWUNWMADAOHUTF-UHFFFAOYSA-N
    • SMILES: S=C1NN=C(C(N1)=O)CCC(=O)O

Computed Properties

  • Exact Mass: 201.02091
  • Monoisotopic Mass: 201.021
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 300
  • 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: _0.2
  • Topological Polar Surface Area: 123A^2

Experimental Properties

  • Color/Form: No date available
  • Density: 1.7±0.1 g/cm3
  • Melting Point: 218-220 °CEnamineEN300-00837
  • Boiling Point: No date available
  • Flash Point: No date available
  • Refractive Index: 1.743
  • PSA: 90.79
  • Vapor Pressure: No date available

3-(5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid Security Information

3-(5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid Pricemore >>

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