A1CVV
Summary
| Name: | N-(2,6-dimethylphenyl)-N'-(2-hydroxyethyl)thiourea |
| Formula: | C11 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 224.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2,6-dimethylphenyl)-N'-(2-hydroxyethyl)thiourea |
| OpenEye OEToolkits | 3.1.0.0 | 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(Nc1c(C)cccc1C)NCCO |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2OS/c1-8-4-3-5-9(2)10(8)13-11(15)12-6-7-14/h3-5,14H,6-7H2,1-2H3,(H2,12,13,15) |
| InChIKey | InChI | 1.06 | JYWDCHNCNXURHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(C)c1NC(=S)NCCO |
| SMILES | CACTVS | 3.385 | Cc1cccc(C)c1NC(=S)NCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1NC(=S)NCCO)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1NC(=S)NCCO)C |
