Isopropyl 2-thiophenecarboxylate
TL;DR: Isopropyl 2-thiophenecarboxylate (CAS 111160-47-5) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl thiophene-2-carboxylate
Also Known As: Isopropyl 2-thiophenecarboxylate, Isopropyl Thiophene-2-carboxylate, Isopropyl 2-thiophenecarboxylate #, propan-2-yl thiophene-2-carboxylate, 2-Thiophenecarboxylic acid, isopropyl ester
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 111160-47-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CS1 |
| InChIKey | SEGKNRQPCDUXAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 2-thiophenecarboxylate (CAS 111160-47-5), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: propan-2-yl thiophene-2-carboxylate.
Chemical Property Profile of Isopropyl 2-thiophenecarboxylate
Property Insights of Isopropyl 2-thiophenecarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2-thiophenecarboxylate. With a topological polar surface area (TPSA) of 54.5 Ų, Isopropyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 3 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 Isopropyl 2-thiophenecarboxylate?
The CAS number of Isopropyl 2-thiophenecarboxylate is 111160-47-5.
What is the molecular formula of Isopropyl 2-thiophenecarboxylate?
The molecular formula of Isopropyl 2-thiophenecarboxylate is C8H10O2S.
What is the molecular weight of Isopropyl 2-thiophenecarboxylate?
The molecular weight of Isopropyl 2-thiophenecarboxylate is 170.04 g/mol.
Where can I buy Isopropyl 2-thiophenecarboxylate?
You can request a quote for Isopropyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.