4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide
TL;DR: 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide (CAS 22814-95-5) is a chemical compound with molecular formula C13H12ClN3S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-3-(4-chlorophenyl)thiourea
Also Known As: 1-anilino-3-(4-chlorophenyl)thiourea, 1-Phenyl-4- thiosemicarbazide, 1-Phenyl-4-(4-chlorophenyl)thiosemicarbazide, 3-(4-chlorophenyl)-1-(phenylamino)thiourea, 4-(p-Chlorophenyl)-1-phenylthiosemicarbazide
| Molecular Formula | C13H12ClN3S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 3.6535 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.04404 |
| Heavy Atoms | 18 |
| Complexity | 513.5194 |
Chemical Identifiers
| CAS Number | 22814-95-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NNC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide (CAS 22814-95-5), with molecular formula C13H12ClN3S and molecular weight 277.04 g/mol. IUPAC: 1-anilino-3-(4-chlorophenyl)thiourea.
Chemical Property Profile of 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide
Property Insights of 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide
The XLogP value of 3.6535 indicates that 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.09 Ų, 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide has 3 hydrogen bond donor(s) and 2 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 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide?
The CAS number of 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide is 22814-95-5.
What is the molecular formula of 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide?
The molecular formula of 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide is C13H12ClN3S.
What is the molecular weight of 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide?
The molecular weight of 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide is 277.04 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide?
You can request a quote for 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1-phenyl-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.