4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid
TL;DR: 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid (CAS 477331-33-2) is a chemical compound with molecular formula C17H14N2O2S3 and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid
Also Known As: 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoic acid, 4-({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoic acid, 4-(5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-benzoic acid, 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid, 4-{[5-(phenylmethylthio)-1,3,4-thiadiazol-2-ylthio]methyl}benzoic acid
| Molecular Formula | C17H14N2O2S3 |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 4.8209 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.02173 |
| Heavy Atoms | 24 |
| Complexity | 804.21765 |
Chemical Identifiers
| CAS Number | 477331-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid (CAS 477331-33-2), with molecular formula C17H14N2O2S3 and molecular weight 374.02 g/mol. IUPAC: 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid
Property Insights of 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid
The XLogP value of 4.8209 indicates that 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid has 1 hydrogen bond donor(s) and 6 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-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid?
The CAS number of 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid is 477331-33-2.
What is the molecular formula of 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid?
The molecular formula of 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid is C17H14N2O2S3.
What is the molecular weight of 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid?
The molecular weight of 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid is 374.02 g/mol.
Where can I buy 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid?
You can request a quote for 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.