5-isothiocyanato-1H-pyrimidine-2,4-dione
5-isothiocyanato-1H-pyrimidine-2,4-dione
Also Known As: 5-isothiocyanato-1H-pyrimidine-2,4-dione|5-Isothiocyanatopyrimidine-2,4(1H,3H)-dione|2,4(1H,3H)-Pyrimidinedione,5-isothiocyanato-|2,4(1H,3H)-Pyrimidinedione, 5-isothiocyanato-|5-isothiocyanato-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS: 7702-88-7
| Molecular Formula | C5H3N3O2S |
|---|---|
| Molecular Weight | 168.9946 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.9946 |
| Monoisotopic Mass | 168.9946 |
| Heavy Atoms | 11 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 7702-88-7 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)N=C=S |
| InChIKey | NFKMDNBGXPAUCM-UHFFFAOYSA-N |
Product Overview
5-isothiocyanato-1H-pyrimidine-2,4-dione (CAS 7702-88-7), with molecular formula C5H3N3O2S and molecular weight 168.9946 g/mol. IUPAC: 5-isothiocyanato-1H-pyrimidine-2,4-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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5-isothiocyanato-1H-pyrimidine-2,4-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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