PTU
Summary
| Name: | 2-ETHYL-1-PHENYL-ISOTHIOUREA |
| Synonyms: | S-ETHYL-N-PHENYL-ISOTHIOUREA |
| Formula: | C9 H12 N2 S |
| Formal charge: | 0 |
| Formula weight: | 180.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl N'-phenylimidothiocarbamate |
| OpenEye OEToolkits | 1.5.0 | 1-ethylsulfanyl-N'-phenyl-methanimidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S(\C(=N/c1ccccc1)N)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCSC(N)=Nc1ccccc1 |
| SMILES | CACTVS | 3.341 | CCSC(N)=Nc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCSC(=Nc1ccccc1)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCSC(=Nc1ccccc1)N |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11) |
| InChIKey | InChI | 1.03 | LAXNJIWNBHHMDO-UHFFFAOYSA-N |
