4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid structure
|
Common Name | 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 17756-30-8 | Molecular Weight | 286.30900 | |
| Density | 1.55g/cm3 | Boiling Point | 608ºC at 760 mmHg | |
| Molecular Formula | C13H10N4O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 321.5ºC | |
| Name | 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid |
|---|---|
| Synonym | More Synonyms |
| Density | 1.55g/cm3 |
|---|---|
| Boiling Point | 608ºC at 760 mmHg |
| Molecular Formula | C13H10N4O2S |
| Molecular Weight | 286.30900 |
| Flash Point | 321.5ºC |
| Exact Mass | 286.05200 |
| PSA | 115.89000 |
| LogP | 2.23540 |
| Vapour Pressure | 1.24E-15mmHg at 25°C |
| Index of Refraction | 1.773 |
| InChIKey | SHJUHFMRQUDXAG-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(Cn2cnc3c(=S)nc[nH]c32)cc1 |
| 4-(6-thioxo-1,6-dihydro-purin-9-ylmethyl)-benzoic acid |
| HMS3085J21 |
| 6-Mercapto-9-<4-carboxy-benzyl>-purin |