HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Aminothiophene
THIOPHEN-2-AMINE · 2-Aminothiophene · thiophenine · 2-Thienylamine · 2-Thiophenamine · (2-Thienyl)amine · Thiophene-2-amine · Thiophen-2-ylaMine
Identifiers & Physical Properties
| CAS No. | 616-46-6 |
|---|---|
| Molecular formula | C4H5NS |
| Average molar mass | 99.16 g/mol |
| Monoisotopic mass | 99.01427016 g/mol |
| SMILES | Nc1cccs1 |
| InChIKey | GLQWRXYOTXRDNH-UHFFFAOYSA-N |
| PubChem CID | 97373 |
| ChEMBL | CHEMBL4793820 |
| DTXSID | DTXSID40210601 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 54.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 46.8 |
| Melting point | 12-13 °C(Solv: hexane (110-54-3)dichloromethane (75-09-2)) |
| Boiling point | 194.5±13.0 °C(Predicted) |
| Density | 1+-.0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| pKa (acidity coefficient) | 2.51±0.10(Predicted) |
| FDA UNII | G9MN5C2AMD |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Customs code | 2934999090 |
Safety & Regulations
| Customs code | 2934999090 |
|---|---|
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
2-Thiophenamine can be used in molecular heterocyclisation reactions for the preparation of novel thiophenes containing azole and nitrogen. N,N-Diphenyl-2-thiophenamine (DPTA) is an electron donor molecule used in photovoltaic devices such as organic solar cells and LEDs.