Cas no 16372-06-8 (2-Thioxo-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-4(5H)-one)

2-Thioxo-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-4(5H)-one structure
16372-06-8 structure
Product Name:2-Thioxo-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-4(5H)-one
CAS No:16372-06-8
MF:C6H7N3OS
MW:169.204279184341
MDL:MFCD24873286
CID:1034949
PubChem ID:71607306
Update Time:2025-04-20

2-Thioxo-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-4(5H)-one Chemical and Physical Properties

Names and Identifiers

    • 2-Thioxo-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-4(5H)-one
    • 2-sulfanylidene-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
    • 2-thioxo-1,2,3,5,6,7-hexahydro-pyrrolo[2,3-d]pyrimidin-4-one
    • 16372-06-8
    • DB-228255
    • 2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    • DTXSID60856262
    • 2-mercapto-4-hydroxy-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidine
    • 2-Sulfanylidene-1,2,3,5,6,7-hexahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    • MDL: MFCD24873286
    • Inchi: 1S/C6H7N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H2,(H3,7,8,9,10,11)
    • InChI Key: VITZTEXYFPRXOV-UHFFFAOYSA-N
    • SMILES: S=C1NC(C2=C(N1)NCC2)=O

Computed Properties

  • Exact Mass: 169.03098303g/mol
  • Monoisotopic Mass: 169.03098303g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 271
  • 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: 85.2?2

2-Thioxo-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-4(5H)-one Pricemore >>

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