182004-64-4
| Name | Carbamimidothioic acid |
| CAS | 182004-64-4 |
| Molecular Formula | C16H17N3O3S |
| MDL Number | MFCD00952138 |
| Molecular Weight | 331.39 |
| MOL File | 182004-64-4.mol |
Chemical Properties
| Boiling point | 98.4±23.0 °C(Predicted) |
| density | 1.52±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: >10mg/mL |
| form | powder |
| pka | 0.37±0.10(Predicted) |
| color | off-white to tan |
| InChI | 1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4) |
| InChIKey | WGIKEBHIKKWJLG-UHFFFAOYSA-N |
| SMILES | CS(O)(=O)=O.NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1 |
Safety Data
| Hazard Codes | N |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |