1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea
TL;DR: 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea (CAS 496775-41-8) is a chemical compound with molecular formula C16H13ClN4OS2 and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea
Also Known As: 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea, 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea, 1-[(2Z)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3-chlorophenyl)urea
| Molecular Formula | C16H13ClN4OS2 |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 5.1278 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.02194 |
| Heavy Atoms | 24 |
| Complexity | 825.7094 |
Chemical Identifiers
| CAS Number | 496775-41-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea (CAS 496775-41-8), with molecular formula C16H13ClN4OS2 and molecular weight 376.02 g/mol. IUPAC: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea.
Chemical Property Profile of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea
Property Insights of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea
The XLogP value of 5.1278 indicates that 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea. Following Lipinski's Rule of Five, 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
The CAS number of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea is 496775-41-8.
What is the molecular formula of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
The molecular formula of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea is C16H13ClN4OS2.
What is the molecular weight of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
The molecular weight of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea is 376.02 g/mol.
Where can I buy 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
You can request a quote for 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.