N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea
TL;DR: N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea (CAS 294851-80-2) is a chemical compound with molecular formula C9H7ClN4OS2 and molecular weight 285.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
Also Known As: 1-(3-Chlorophenyl)-3-(5-mercapto-1,3,4-thiadiazol-2-yl)urea, N-(3-CHLOROPHENYL)-N'-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YL)UREA, 1-(3-chlorophenyl)-3-(5-mercapto-[1,3,4]thiadiazol-2-yl)urea, 1-(3-chlorophenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea, 1-(3-chlorophenyl)-3-(5-sulfanylidene-4H-1,3,4-thiadiazol-2-yl)urea
| Molecular Formula | C9H7ClN4OS2 |
|---|---|
| Molecular Weight | 285.97 g/mol |
| LogP | 3.49809 |
| Topological Polar Surface Area | 69.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.97498 |
| Heavy Atoms | 17 |
| Complexity | 594.4318 |
Chemical Identifiers
| CAS Number | 294851-80-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)NC2=NNC(=S)S2 |
Product Overview
N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea (CAS 294851-80-2), with molecular formula C9H7ClN4OS2 and molecular weight 285.97 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea.
Chemical Property Profile of N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea
Property Insights of N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea
The XLogP value of 3.49809 indicates that N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea. Following Lipinski's Rule of Five, N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea has 3 hydrogen bond donor(s) and 4 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 N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea?
The CAS number of N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea is 294851-80-2.
What is the molecular formula of N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea?
The molecular formula of N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea is C9H7ClN4OS2.
What is the molecular weight of N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea?
The molecular weight of N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea is 285.97 g/mol.
Where can I buy N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea?
You can request a quote for N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorophenyl)-N'-(5-mercapto-1,3,4-thiadiazol-2-YL)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.