1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide
TL;DR: 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide (CAS 130111-83-0) is a chemical compound with molecular formula C14H11Cl2N5S and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-N-(2,4-dichloroanilino)-C-phenylcarbonimidoyl]iminothiourea
Also Known As: 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide, 5-Formazancarbothioamide, 1-(2,4-dichlorophenyl)-3-phenyl-, BRN 4266044
| Molecular Formula | C14H11Cl2N5S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 4.4629 |
| Topological Polar Surface Area | 75.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.01123 |
| Heavy Atoms | 22 |
| Complexity | 731.268 |
Chemical Identifiers
| CAS Number | 130111-83-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=N/NC2=C(C=C(C=C2)Cl)Cl)/N=NC(=S)N |
Product Overview
1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide (CAS 130111-83-0), with molecular formula C14H11Cl2N5S and molecular weight 351.01 g/mol. IUPAC: [(Z)-N-(2,4-dichloroanilino)-C-phenylcarbonimidoyl]iminothiourea.
Chemical Property Profile of 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide
Property Insights of 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide
The XLogP value of 4.4629 indicates that 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide. Following Lipinski's Rule of Five, 1-(2,4-Dichlorophenyl)-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
Frequently Asked Questions
What is the CAS number of 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide?
The CAS number of 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide is 130111-83-0.
What is the molecular formula of 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide?
The molecular formula of 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide is C14H11Cl2N5S.
What is the molecular weight of 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide?
The molecular weight of 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide is 351.01 g/mol.
Where can I buy 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide?
You can request a quote for 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dichlorophenyl)-3-phenyl-5-formazancarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.