| Melting point |
94-98°C |
| Boiling point |
473.0±55.0 °C(Predicted) |
| Density |
1.309±0.06 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
Chloroform (Sparingly), Ethyl Acetate (Very Slightly), DMSO (Slightly), Methanol |
| pka |
4.07±0.10(Predicted) |
| form |
Powder |
| color |
pink |
| Sensitive |
light sensitive, store cold |
| InChI |
InChI=1S/C13H13NO2S2/c1-13(9-14,8-7-11(15)16)18-12(17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16) |
| InChIKey |
YNKQCPNHMVAWHN-UHFFFAOYSA-N |
| SMILES |
C(O)(=O)CCC(C#N)(SC(C1=CC=CC=C1)=S)C |
