S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
TL;DR: S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate (CAS 2178-97-4) is a chemical compound with molecular formula C9H14N2O2S3 and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylformate
Also Known As: S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate, ethyl (5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylformate, Carbonothioic acid,S-[5-(butylthio)-1,3,4-thiadiazol-2-yl] O-ethyl ester, ETHYL {[5-(BUTYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]SULFANYL}FORMATE, S-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl] O-ethyl carbonothioate
| Molecular Formula | C9H14N2O2S3 |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.02173 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 2178-97-4 |
|---|---|
| SMILES | CCCCSC1=NN=C(S1)SC(=O)OCC |
| InChIKey | BNLQCEFCOJBPRR-UHFFFAOYSA-N |
Product Overview
S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate (CAS 2178-97-4), with molecular formula C9H14N2O2S3 and molecular weight 278.02 g/mol. IUPAC: ethyl (5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylformate.
Chemical Property Profile of S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
Property Insights of S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
The XLogP value of 3.9 indicates that S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate. Following Lipinski's Rule of Five, S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate 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 S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
The CAS number of S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate is 2178-97-4.
What is the molecular formula of S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
The molecular formula of S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate is C9H14N2O2S3.
What is the molecular weight of S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
The molecular weight of S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate is 278.02 g/mol.
Where can I buy S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
You can request a quote for S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.