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CAS NO.504-17-6
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| 4,6-Dihydroxy-2-mercaptopyrimidine Basic information |
| Product Name: | 4,6-Dihydroxy-2-mercaptopyrimidine |
| Synonyms: | TBA;TIMTEC-BB SBB004132;THIOBARBITURIC ACID;2-mercaptobarbituricacid;2-thio-barbituricaci;5h)-pyrimidinedione,dihydro-2-thioxo-6(1h;6(1H,5H)-Pyrimidinedione,dihydro-2-thioxo-4;austranal |
| CAS: | 504-17-6 |
| MF: | C4H4N2O2S |
| MW: | 144.15 |
| EINECS: | 207-985-8 |
| Product Categories: | PYRIMIDINE;Heterocyclic Compounds;Aromatics Compounds;Aromatics;Bases & Related Reagents;Nucleotides;Sulfur & Selenium Compounds;Building Blocks;C4 to C5;Chemical Synthesis;Heterocyclic Building Blocks;Pyrimidines;Heterocycle-Pyrimidine series |
| Mol File: | 504-17-6.mol |
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| 4,6-Dihydroxy-2-mercaptopyrimidine Chemical Properties |
| mp | 245 °C (dec.)(lit.) |
| storage temp. | Controlled Substance, -20°C Freezer |
| Water Solubility | <6 g/L (20 ºC) |
| BRN | 120663 |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| CAS DataBase Reference | 504-17-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 4,6(1H,5h)-pyrimidinedione, dihydro-2-thioxo-(504-17-6) |
| EPA Substance Registry System | 4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-(504-17-6) |
| Safety Information |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 22-24/25-37/39-26 |
| WGK Germany | 2 |
| RTECS | CQ7700000 |
| F | 13-23 |
| HS Code | 29335995 |
| Molecular Weight | 144.15176 g/mol |
|---|---|
| Molecular Formula | C4H4N2O2S |
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 143.999348 g/mol |
| Monoisotopic Mass | 143.999348 g/mol |
| Topological Polar Surface Area | 90.3 A^2 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 171 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |