A1AXV
Summary
| Name: | N-(3-methylphenyl)thiourea |
| Formula: | C8 H10 N2 S |
| Formal charge: | 0 |
| Formula weight: | 166.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-methylphenyl)thiourea |
| OpenEye OEToolkits | 2.0.7 | 1-(3-methylphenyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C(N)Nc1cc(C)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11) |
| InChIKey | InChI | 1.06 | JODPVHLKQIOIIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(NC(N)=S)c1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(NC(N)=S)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)NC(=S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)NC(=S)N |
