4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide
TL;DR: 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide (CAS 133378-42-4) is a chemical compound with molecular formula C7H7ClFN3S and molecular weight 219.00333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-(3-chloro-4-fluorophenyl)thiourea
Also Known As: Hydrazinecarbothioamide, N-(3-chloro-4-fluorophenyl)-, 1-amino-3-(3-chloro-4-fluorophenyl)thiourea, 4-(3-CHLORO-4-FLUOROPHENYL)-3-THIOSEMICARBAZIDE, N-(3-Chloro-4-fluorophenyl)hydrazinecarbothioamide, 3-amino-1-(3-chloro-4-fluoro-phenyl)thiourea
Technical Specifications
| Molecular Formula | C7H7ClFN3S |
| Molecular Weight | 219.00333 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.00333 Da |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
| SMILES | C1=CC(=C(C=C1NC(=S)NN)Cl)F |
| InChIKey | SOAZTUZCAXZNFN-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide
Property Insights of 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide?
The CAS number of 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide is 133378-42-4.
What is the molecular formula of 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide?
The molecular formula of 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide is C7H7ClFN3S.
What is the molecular weight of 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide?
The molecular weight of 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide is 219.00333 g/mol.
Where can I buy 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide?
You can request a quote for 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide?
Yes, CoreyChem provides custom synthesis services for 4-(3-Chloro-4-fluorophenyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.