![S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate structure](/static/products/372/372172-89-9.png)
S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate
TL;DR: S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate (CAS 372172-89-9) is a chemical compound with molecular formula C11H7N3O2S2 and molecular weight 277.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate
Also Known As: S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate, S-(5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl) ethanethioate, S-(5-[3-(Cyanosulfanyl)phenyl]-1,3,4-oxadiazol-2-yl) ethanethioate #, Thioacetic acid, S-[5-(3-thiocyanatophenyl)-[1,3,4]oxadiazol-2-yl] ester
| Molecular Formula | C11H7N3O2S2 |
|---|---|
| Molecular Weight | 277.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.99796 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 372172-89-9 |
|---|---|
| SMILES | CC(=O)SC1=NN=C(O1)C2=CC(=CC=C2)SC#N |
| InChIKey | PUGJZFZZKCPIPL-UHFFFAOYSA-N |
Product Overview
S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate (CAS 372172-89-9), with molecular formula C11H7N3O2S2 and molecular weight 277.00 g/mol. IUPAC: S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate.
Chemical Property Profile of S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate
Property Insights of S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate. Following Lipinski's Rule of Five, S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate 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-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate?
The CAS number of S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate is 372172-89-9.
What is the molecular formula of S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate?
The molecular formula of S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate is C11H7N3O2S2.
What is the molecular weight of S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate?
The molecular weight of S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate is 277.00 g/mol.
Where can I buy S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate?
You can request a quote for S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.