ChemDiv3_001652
methyl 2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzoate
Also Known As: ChemDiv3_001652|IDI1_020618|SR-01000442133-1|METHYL 2-{[(4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE)METHYL]AMINO}BENZOATE|F0416-0005|methyl 2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate|methyl 2-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate|methyl 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate|methyl 2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzoate
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.04703 g/mol |
| LogP | 1.67529 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.04703 |
| Monoisotopic Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 822.6515 |
Chemical Identifiers
| CAS Number | 324544-99-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N=CC2=C(NC(=S)NC2=O)O |
Product Overview
ChemDiv3_001652 (CAS 324544-99-2), with molecular formula C13H11N3O4S and molecular weight 305.04703 g/mol. IUPAC: methyl 2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzoate.