1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide
TL;DR: 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide (CAS 130111-82-9) is a chemical compound with molecular formula C14H12ClN5S and molecular weight 317.0502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-N-(4-chloroanilino)-C-phenylcarbonimidoyl]iminothiourea
Also Known As: 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide, 5-Formazancarbothioamide, 1-(4-chlorophenyl)-3-phenyl-, BRN 4262271
Technical Specifications
| Molecular Formula | C14H12ClN5S |
| Molecular Weight | 317.0502 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0502 Da |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
| SMILES | C1=CC=C(C=C1)/C(=N/NC2=CC=C(C=C2)Cl)/N=NC(=S)N |
| InChIKey | MWWRDUAWOXZARC-WMFQOTTISA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide
Property Insights of 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide
The XLogP value of 4.6 indicates that 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide has 2 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 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide?
The CAS number of 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide is 130111-82-9.
What is the molecular formula of 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide?
The molecular formula of 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide is C14H12ClN5S.
What is the molecular weight of 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide?
The molecular weight of 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide is 317.0502 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide?
You can request a quote for 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)-3-phenyl-5-formazancarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.