3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone
TL;DR: 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone (CAS 1713-68-4) is a chemical compound with molecular formula C14H11Cl2N3OS and molecular weight 339.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenylthiourea
Also Known As: 3,5-dichlorosalicylaldehyde-n4-phenylthiosemicarbazone, 1-(3,5-Dichlorosalicylidene)-4-phenylthiosemicarbazide, 1-[[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)meth
| Molecular Formula | C14H11Cl2N3OS |
|---|---|
| Molecular Weight | 339.00 g/mol |
| LogP | 4.0195 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.0 |
| Heavy Atoms | 21 |
| Complexity | 677.4194 |
Chemical Identifiers
| CAS Number | 1713-68-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NN=CC2=C(C(=CC(=C2)Cl)Cl)O |
Product Overview
3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone (CAS 1713-68-4), with molecular formula C14H11Cl2N3OS and molecular weight 339.00 g/mol. IUPAC: 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenylthiourea.
Chemical Property Profile of 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone
Property Insights of 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone
The XLogP value of 4.0195 indicates that 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone 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
Frequently Asked Questions
What is the CAS number of 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone?
The CAS number of 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone is 1713-68-4.
What is the molecular formula of 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone?
The molecular formula of 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone is C14H11Cl2N3OS.
What is the molecular weight of 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone?
The molecular weight of 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone is 339.00 g/mol.
Where can I buy 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone?
You can request a quote for 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichlorosalicylaldehyde-n4-phenylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.