Thietan-3-yl thiophene-2-carboxylate
TL;DR: Thietan-3-yl thiophene-2-carboxylate (CAS 697783-46-3) is a chemical compound with molecular formula C8H8O2S2 and molecular weight 200.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thietan-3-yl thiophene-2-carboxylate
Also Known As: thietan-3-yl thiophene-2-carboxylate, TimTec1_001927, 2-Thiophenecarboxylicacid,3-thietanylester, 2-thiophenecarboxylic acid,3-thietanylester, 2-Thiophenecarboxylicacid,3-thietanylester(9CI)
| Molecular Formula | C8H8O2S2 |
|---|---|
| Molecular Weight | 200.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.99657 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 697783-46-3 |
|---|---|
| SMILES | C1C(CS1)OC(=O)C2=CC=CS2 |
| InChIKey | WLQDLXIEVOGMDM-UHFFFAOYSA-N |
Product Overview
Thietan-3-yl thiophene-2-carboxylate (CAS 697783-46-3), with molecular formula C8H8O2S2 and molecular weight 200.00 g/mol. IUPAC: thietan-3-yl thiophene-2-carboxylate.
Chemical Property Profile of Thietan-3-yl thiophene-2-carboxylate
Property Insights of Thietan-3-yl thiophene-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thietan-3-yl thiophene-2-carboxylate. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Thietan-3-yl thiophene-2-carboxylate. Following Lipinski's Rule of Five, Thietan-3-yl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 Thietan-3-yl thiophene-2-carboxylate?
The CAS number of Thietan-3-yl thiophene-2-carboxylate is 697783-46-3.
What is the molecular formula of Thietan-3-yl thiophene-2-carboxylate?
The molecular formula of Thietan-3-yl thiophene-2-carboxylate is C8H8O2S2.
What is the molecular weight of Thietan-3-yl thiophene-2-carboxylate?
The molecular weight of Thietan-3-yl thiophene-2-carboxylate is 200.00 g/mol.
Where can I buy Thietan-3-yl thiophene-2-carboxylate?
You can request a quote for Thietan-3-yl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thietan-3-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Thietan-3-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.