![Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate structure](/static/products/462/462077-65-2.png)
Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
TL;DR: Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate (CAS 462077-65-2) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate
Also Known As: methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate, methyl 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate, methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 462077-65-2 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC(=CC=C2)C(=O)OC |
| InChIKey | KJLODWNPVZRZCZ-UHFFFAOYSA-N |
Product Overview
Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate (CAS 462077-65-2), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
Property Insights of Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate. Following Lipinski's Rule of Five, Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate has 0 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 Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
The CAS number of Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate is 462077-65-2.
What is the molecular formula of Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
The molecular formula of Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate is C12H12N2O2S2.
What is the molecular weight of Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
The molecular weight of Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate is 280.03 g/mol.
Where can I buy Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
You can request a quote for Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.