TL;DR: N-(3-bromophenyl)hydrazinecarbothioamide (CAS 116567-17-0) is a chemical compound with molecular formula C7H8BrN3S and molecular weight 244.96223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-(3-bromophenyl)thiourea
Also Known As: N-(3-bromophenyl)hydrazinecarbothioamide, 3-amino-1-(3-bromophenyl)thiourea, 1-amino-3-(3-bromophenyl)thiourea, Hydrazinecarbothioamide, N-(3-bromophenyl)-, 4-[3-Brom-phenyl]-thiosemicarbazide
| Molecular Formula | C7H8BrN3S |
| Molecular Weight | 244.96223 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.96223 Da |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| SMILES | C1=CC(=CC(=C1)Br)NC(=S)NN |
| InChIKey | MAPPIIPCKZAUDC-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-bromophenyl)hydrazinecarbothioamide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromophenyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-(3-bromophenyl)hydrazinecarbothioamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3-bromophenyl)hydrazinecarbothioamide is 116567-17-0.
The molecular formula of N-(3-bromophenyl)hydrazinecarbothioamide is C7H8BrN3S.
The molecular weight of N-(3-bromophenyl)hydrazinecarbothioamide is 244.96223 g/mol.
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