4-(4-Chlorophenyl)-3-thiosemicarbazide
TL;DR: 4-(4-Chlorophenyl)-3-thiosemicarbazide (CAS 22814-92-2) is a chemical compound with molecular formula C7H8ClN3S and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(4-chlorophenyl)thiourea
Also Known As: N-(4-chlorophenyl)hydrazinecarbothioamide, 4-(4-Chlorophenyl)-3-thiosemicarbazide, 3-amino-1-(4-chlorophenyl)thiourea, 1-amino-3-(4-chlorophenyl)thiourea, Maybridge1_006895
| Molecular Formula | C7H8ClN3S |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.01274 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 22814-92-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NN)Cl |
| InChIKey | GFTWJLUVFRTLIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Chlorophenyl)-3-thiosemicarbazide (CAS 22814-92-2), with molecular formula C7H8ClN3S and molecular weight 201.01 g/mol. IUPAC: 1-amino-3-(4-chlorophenyl)thiourea.
Chemical Property Profile of 4-(4-Chlorophenyl)-3-thiosemicarbazide
Property Insights of 4-(4-Chlorophenyl)-3-thiosemicarbazide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-3-thiosemicarbazide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-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)-3-thiosemicarbazide?
The CAS number of 4-(4-Chlorophenyl)-3-thiosemicarbazide is 22814-92-2.
What is the molecular formula of 4-(4-Chlorophenyl)-3-thiosemicarbazide?
The molecular formula of 4-(4-Chlorophenyl)-3-thiosemicarbazide is C7H8ClN3S.
What is the molecular weight of 4-(4-Chlorophenyl)-3-thiosemicarbazide?
The molecular weight of 4-(4-Chlorophenyl)-3-thiosemicarbazide is 201.01 g/mol.
Where can I buy 4-(4-Chlorophenyl)-3-thiosemicarbazide?
You can request a quote for 4-(4-Chlorophenyl)-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)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.