N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}thiourea
Chemical Structure Depiction of
N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}thiourea
N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}thiourea
Compound characteristics
| Compound ID: | Y040-9474 |
| Compound Name: | N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}thiourea |
| Molecular Weight: | 233.29 |
| Molecular Formula: | C10 H11 N5 S |
| Smiles: | C(c1ccc(cc1)NC(N)=S)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 0.1881 |
| logD: | 0.1881 |
| logSw: | -1.6727 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 54.799 |
| InChI Key: | XHBQKDIYZPCXEA-UHFFFAOYSA-N |