![Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate structure](/static/products/246/246539-98-0.png)
Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate
TL;DR: Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate (CAS 246539-98-0) is a chemical compound with molecular formula C10H14N2O4S3 and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(1-methoxy-1-oxopropan-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
Also Known As: dimethyl 2,2'-((1,3,4-thiadiazole-2,5-diyl)bis(sulfanediyl))dipropanoate, dimethyl 2,2'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)dipropanoate, dimethyl S,S'-(1,3,4-thiadiazole-2,5-diyl)bis(2-mercaptopropionate), methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate, methyl 2-[[5-(1-methoxy-1-oxopropan-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
| Molecular Formula | C10H14N2O4S3 |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.01157 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 246539-98-0 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NN=C(S1)SC(C)C(=O)OC |
| InChIKey | AUGFICWNEFPLAO-UHFFFAOYSA-N |
Product Overview
Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate (CAS 246539-98-0), with molecular formula C10H14N2O4S3 and molecular weight 322.01 g/mol. IUPAC: methyl 2-[[5-(1-methoxy-1-oxopropan-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate.
Chemical Property Profile of Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate
Property Insights of Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate. The TPSA of 157.0 Ų indicates high polarity, suggesting Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate has 0 hydrogen bond donor(s) and 9 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 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate?
The CAS number of Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate is 246539-98-0.
What is the molecular formula of Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate?
The molecular formula of Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate is C10H14N2O4S3.
What is the molecular weight of Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate?
The molecular weight of Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate is 322.01 g/mol.
Where can I buy Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate?
You can request a quote for Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.