1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide
TL;DR: 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide (CAS 130111-84-1) is a chemical compound with molecular formula C16H17ClN6S and molecular weight 360.0924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-N-(2-chloroanilino)-C-[4-(dimethylamino)phenyl]carbonimidoyl]iminothiourea
Also Known As: 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide, 5-Formazancarbothioamide, 1-(2-chlorophenyl)-3-(4-(dimethylamino)phenyl)-, BRN 4268957
Technical Specifications
| Molecular Formula | C16H17ClN6S |
| Molecular Weight | 360.0924 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.0924 Da |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C(=N/NC2=CC=CC=C2Cl)/N=NC(=S)N |
| InChIKey | JVEAZDQXLNUZMI-XEZMEXMKSA-N |
Chemical Property Profile of 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide
Property Insights of 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide
The XLogP value of 4.7 indicates that 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide has 2 hydrogen bond donor(s) and 4 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-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide?
The CAS number of 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide is 130111-84-1.
What is the molecular formula of 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide?
The molecular formula of 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide is C16H17ClN6S.
What is the molecular weight of 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide?
The molecular weight of 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide is 360.0924 g/mol.
Where can I buy 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide?
You can request a quote for 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-formazancarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.