1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea
TL;DR: 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea (CAS 497242-72-5) is a chemical compound with molecular formula C22H18N4OS2 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(2-benzylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
Also Known As: 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea, 1-[5-(2-benzylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-urea, 1-[5-(2-benzylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea, 1-[(2Z)-5-[2-(benzylsulfanyl)phenyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylurea
| Molecular Formula | C22H18N4OS2 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 6.1414 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.0922 |
| Heavy Atoms | 29 |
| Complexity | 1084.1946 |
Chemical Identifiers
| CAS Number | 497242-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=CC=C2C3=NN=C(S3)NC(=O)NC4=CC=CC=C4 |
Product Overview
1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea (CAS 497242-72-5), with molecular formula C22H18N4OS2 and molecular weight 418.09 g/mol. IUPAC: 1-[5-(2-benzylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea.
Chemical Property Profile of 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea
Property Insights of 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea
The XLogP value of 6.1414 indicates that 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea 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-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea 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-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The CAS number of 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea is 497242-72-5.
What is the molecular formula of 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The molecular formula of 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea is C22H18N4OS2.
What is the molecular weight of 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The molecular weight of 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea is 418.09 g/mol.
Where can I buy 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
You can request a quote for 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(2-(benzylthio)phenyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.