![Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate structure](/static/products/3132/313272-42-3.webp)
Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate
TL;DR: Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate (CAS 313272-42-3) is a chemical compound with molecular formula C12H12N2O2S3 and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Also Known As: methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate, methyl 2-(5-(benzylthio)-1,3,4-thiadiazol-2-ylthio)acetate, methyl {[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate, methyl 2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)acetate, methyl 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
| Molecular Formula | C12H12N2O2S3 |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 3.0955 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.0061 |
| Heavy Atoms | 19 |
| Complexity | 530.7806 |
Chemical Identifiers
| CAS Number | 313272-42-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(S1)SCC2=CC=CC=C2 |
Product Overview
Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate (CAS 313272-42-3), with molecular formula C12H12N2O2S3 and molecular weight 312.01 g/mol. IUPAC: methyl 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate
Property Insights of Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate
The XLogP value of 3.0955 indicates that Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate has 0 hydrogen bond donor(s) and 7 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 Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate?
The CAS number of Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate is 313272-42-3.
What is the molecular formula of Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate?
The molecular formula of Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate is C12H12N2O2S3.
What is the molecular weight of Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate?
The molecular weight of Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate is 312.01 g/mol.
Where can I buy Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate?
You can request a quote for Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.