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| IUPAC Name: | (4-cyanophenyl)thiourea |
| Description: | (4-Cyanophenyl)thiourea (CAS# 3460-55-7) is used in the synthesis of imidoyl thioureas as non-nucleoside reverse transcript inhibitors. As well as in the synthesis of prostoglandin E2 production inhibitors via 2-aminothiazole compounds. |
| Molecular Weight: | 177.23 |
| Molecular Formula: | C8H7N3S |
| Canonical SMILES: | C1=CC(=CC=C1C#N)NC(=S)N |
| InChI: | InChI=1S/C8H7N3S/c9-5-6-1-3-7(4-2-6)11-8(10)12/h1-4H,(H3,10,11,12) |
| InChI Key: | LFMJROANUIRGBS-UHFFFAOYSA-N |
| Boiling Point: | 350 °C at 760 mmHg |
| Melting Point: | 201-205 °C |
| Purity: | 95 % |
| Density: | 1.33 g/cm3 |
| Solubility: | Insoluble |
| Appearance: | Colorless white solid |
| MDL: | MFCD00041175 |
| LogP: | 1.98708 |
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