1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea
1-(3-chloro-4-fluorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea
Also Known As: SR-01000238670-1|1-(1,3,5-triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea|1-(3-chloro-4-fluorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
CAS: 429652-83-5
| Molecular Formula | C14H17ClFN5S |
|---|---|
| Molecular Weight | 341.0877 g/mol |
| LogP | 1.3236 |
| Topological Polar Surface Area | 33.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.0877 |
| Monoisotopic Mass | 341.0877 |
| Heavy Atoms | 22 |
| Complexity | 589.9666 |
Chemical Identifiers
| CAS Number | 429652-83-5 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)NC(=S)NC4=CC(=C(C=C4)F)Cl |
Product Overview
1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea (CAS 429652-83-5), with molecular formula C14H17ClFN5S and molecular weight 341.0877 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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