VI2
Summary
| Name: | N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea |
| Formula: | C10 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 210.296 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea |
| OpenEye OEToolkits | 2.0.7 | 1-(2-hydroxyethyl)-3-(3-methylphenyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C(Nc1cc(C)ccc1)NCCO |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14) |
| InChIKey | InChI | 1.06 | NOMGLIFDUHXWLB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(NC(=S)NCCO)c1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(NC(=S)NCCO)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)NC(=S)NCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)NC(=S)NCCO |
