HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12338564Generated: October 30, 2026
5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione
3-methyl-1-phenyl-4,5-dihydro-1H-pyrazole-5-thione · 3H-Pyrazole-3-thione, 2,4-dihydro-5-methyl-2-phenyl-
https://huagongshe.com/en/chemical/12338564
Identifiers & Physical Properties
| CAS No. | 22717-42-6 |
|---|
| Molecular formula | C10H10N2S |
|---|
| Average molar mass | 190.27 g/mol |
|---|
| Monoisotopic mass | 190.0564695 g/mol |
|---|
| SMILES | CC1=NN(c2ccccc2)C(=S)C1 |
|---|
| InChIKey | ZIKFJVRIGOIMKR-UHFFFAOYSA-N |
|---|
| PubChem CID | 12338564 |
|---|
| DTXSID | DTXSID50491681 |
|---|
Chemical & Physical Properties
| XLogP | 1.9 |
|---|
| Topological polar surface area | 47.7 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 2 |
|---|
| Rotatable bonds | 1 |
|---|
| Heavy atoms | 13 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 241 |
|---|
| Melting point | 109-110 °C |
|---|
| Boiling point | 294 °C |
|---|
| Density | 1.19±0.1 g/cm3(Predicted) |
|---|
| pKa (acidity coefficient) | 0.14±0.20(Predicted) |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
Safety & Regulations
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
