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Home > Encyclopedia > 5-isothiocyanato-1H-pyrimidine-2,4-dione

5-isothiocyanato-1H-pyrimidine-2,4-dione

5-isothiocyanato-1H-pyrimidine-2,4-dione structure

5-isothiocyanato-1H-pyrimidine-2,4-dione 

structure
  • CAS No:

    7702-88-7

  • Formula:

    C5H3N3O2S

  • Chemical Name:

    5-isothiocyanato-1H-pyrimidine-2,4-dione

  • Synonyms:

    2,4(1H,3H)-Pyrimidinedione, 5-isothiocyanato-;5-isothiocyanato-1H-pyrimidine-2,4-dione;NSC406028;CTK5E3744;DTXSID80324211;ZINC1598890;AKOS003627462;NSC-406028;2,4(1H,3H)-Pyrimidinedione,5-isothiocyanato-;5-isothiocyanato-1,2,3,4-tetrahydropyrimidine-2,4-dione

5-isothiocyanato-1H-pyrimidine-2,4-dione Basic Attributes

169.158

168.995

406028

DTXSID80324211

Characteristics

103

0.6

Computed Properties

Molecular Weight:169.16
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:168.99459752
Monoisotopic Mass:168.99459752
Topological Polar Surface Area:103
Heavy Atom Count:11
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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