1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea
TL;DR: 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea (CAS 341933-15-1) is a chemical compound with molecular formula C16H14N4OS2 and molecular weight 342.06 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-phenylurea
Also Known As: 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea, 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylurea, 1-[(2Z)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylurea
| Molecular Formula | C16H14N4OS2 |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 4.4744 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0609 |
| Heavy Atoms | 23 |
| Complexity | 762.021 |
Chemical Identifiers
| CAS Number | 341933-15-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)NC3=CC=CC=C3 |
Product Overview
1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea (CAS 341933-15-1), with molecular formula C16H14N4OS2 and molecular weight 342.06 g/mol. IUPAC: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylurea.
Chemical Property Profile of 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea
Property Insights of 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea
The XLogP value of 4.4744 indicates that 1-(5-(Benzylthio)-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-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea has 2 hydrogen bond donor(s) and 5 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 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The CAS number of 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea is 341933-15-1.
What is the molecular formula of 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The molecular formula of 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea is C16H14N4OS2.
What is the molecular weight of 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The molecular weight of 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea is 342.06 g/mol.
Where can I buy 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
You can request a quote for 1-(5-(Benzylthio)-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-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(Benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.