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| IUPAC Name: | O-phenyl chloromethanethioate |
| Description: | O-Phenyl chlorothionoformate (CAS# 1005-56-7) is used in the preparation of an bicyclic thymidine analogs as selective inhibitors of Thymidine monophosphate kinase Mycobacterium tuberculosis (TMPKmt). |
| Molecular Weight: | 172.63 |
| Molecular Formula: | C7H5ClOS |
| Canonical SMILES: | C1=CC=C(C=C1)OC(=S)Cl |
| InChI: | InChI=1S/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H |
| InChI Key: | KOSYAAIZOGNATQ-UHFFFAOYSA-N |
| Boiling Point: | 81-83°C at 6 mmHg |
| Melting Point: | 51°C |
| Purity: | 95 % |
| Density: | 1.248 g/mL at 25°C |
| Solubility: | Soluble in Chloroform, Ethyl Acetate |
| Appearance: | Clear Yellow Oily Matter |
| Storage: | Store at 2-8°C under inert atmosphere |
| MDL: | MFCD00004920 |
| LogP: | 2.58910 |
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3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
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