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Catalog | OFC141598789 |
CAS | 141598-78-9 |
Category | Fluorinated Pyrimidines |
Synonyms | 2-prop-2-ynylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one |
MDL Number | MFCD08018587 |
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IUPAC Name | 2-prop-2-ynylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one |
InChI | InChI=1S/C8H5F3N2OS/c1-2-3-15-7-12-5(8(9,10)11)4-6(14)13-7/h1,4H,3H2,(H,12,13,14) |
InChI Key | HJOZLRQXVJYFIU-UHFFFAOYSA-N |
Isomeric SMILES | C#CCSC1=NC(=CC(=O)N1)C(F)(F)F |
Molecular Formula | C8H5F3N2OS |
Molecular Weight | 234.20 |
XLogP3-AA | 1.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Exact Mass | 234.00746845 g/mol |
Monoisotopic Mass | 234.00746845 g/mol |
Topological Polar Surface Area | 66.8Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 388 |
Please kindly note that our products and services are for research use only.