Y3E
Summary
| Name: | 4-phenyl-1,3-thiazole-2(3H)-thione |
| Formula: | C9 H7 N S2 |
| Formal charge: | 0 |
| Formula weight: | 193.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-phenyl-1,3-thiazole-2(3H)-thione |
| OpenEye OEToolkits | 2.0.7 | 4-phenyl-3~{H}-1,3-thiazole-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1NC(=CS1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11) |
| InChIKey | InChI | 1.06 | CYCKHTAVNBPQDB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=C1NC(=CS1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | S=C1NC(=CS1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=CSC(=S)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=CSC(=S)N2 |
