HuagongsheHuagongshe Chemistry Print Report · For research reference only
[1,3]Oxazolo[4,5-b]pyridine-2-thiolate
BUTTPARK 19\09-84 · OXAZOLO[4,5-B]PYRIDINE-2-THIOL · 2-oxazolo[4,5-b]pyridinethiolate · OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE · [1,3]Oxazolo[4,5-b]pyridin-2-thiol · 3H-OXAZOLO[4,5-B]PYRIDINE-2-THIONE · [1,3]OXAZOLO[4,5-B]PYRIDINE-2-THIOL · Oxazolo[4,5-b]pyridine-2(3H)-thione
![[1,3]Oxazolo[4,5-b]pyridine-2-thiolate molecular structure](/img/chemical/40468332.png)
Identifiers & Physical Properties
| CAS No. | 53052-06-5 |
|---|---|
| Molecular formula | C6H3N2OS- |
| Average molar mass | 151.17 g/mol |
| Monoisotopic mass | 150.9966089 g/mol |
| SMILES | [S-]c1nc2ncccc2o1 |
| InChIKey | BRSZJWYJYOGBGK-UHFFFAOYSA-M |
| PubChem CID | 40468332 |
| DTXSID | DTXSID40967547 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 39.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | -1 |
| Complexity | 133 |
| Melting point | 243-246 °C |
| Density | 1.402 (estimate) |
| Refractive index | 1.6430 (estimate) |
| Storage conditions | 2-8°C |
| Physical state | solid |
| Appearance | White to off-white Solid |
| CAS DataBase Reference | 53052-06-5 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H320-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| Hazard symbols | Xi |
| Safety statements (S) | 24/25 |
| Hazard class | IRRITANT |
| Customs code | 2934999090 |
Safety & Regulations
| Customs code | 2934999090 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 24/25 |
| Hazard class | IRRITANT |
| GHS hazard statements | H302-H315-H320-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |