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6-Isothiocyanato-2,4(1H,3H)-Pyrimidinedione
[CAS# 301236-45-3]

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Identification
Name 6-Isothiocyanato-2,4(1H,3H)-Pyrimidinedione
Synonyms 6-isothiocyanatopyrimidine-2,4(1H,3H)-dione; ZINC03218501
Molecular Structure CAS#: 301236-45-3, 6-Isothiocyanato-2,4(1H,3H)-Pyrimidinedione
Molecular Formula C5H3N3O2S
Molecular Weight 169.16
CAS Registry Number 301236-45-3
SMILES O=C1NC(\N=C=S)=C/C(=O)N1
InChI 1S/C5H3N3O2S/c9-4-1-3(6-2-11)7-5(10)8-4/h1H,(H2,7,8,9,10)
InChIKey IDHOPZCVJJXFIE-UHFFFAOYSA-N
Properties
Density 1.661g/cm3 (Cal.)
Boiling point 567°C at 760 mmHg (Cal.)
Flash point 296.7°C (Cal.)
Refractive index 1.744 (Cal.)
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