Isopentyl 2-thiophenecarboxylate
TL;DR: Isopentyl 2-thiophenecarboxylate (CAS 35250-84-1) is a chemical compound with molecular formula C10H14O2S and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl thiophene-2-carboxylate
Also Known As: Isopentyl 2-thiophenecarboxylate, 3-methylbutyl thiophene-2-carboxylate, isopentyl thiophene-2-carboxylate, Isopentyl 2-thiophenecarboxylate #, S-(thiophen-2-ylmethyl) ethanethioate
| Molecular Formula | C10H14O2S |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.07146 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 35250-84-1 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=CS1 |
| InChIKey | DIGXFRGGMHHNDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentyl 2-thiophenecarboxylate (CAS 35250-84-1), with molecular formula C10H14O2S and molecular weight 198.07 g/mol. IUPAC: 3-methylbutyl thiophene-2-carboxylate.
Chemical Property Profile of Isopentyl 2-thiophenecarboxylate
Property Insights of Isopentyl 2-thiophenecarboxylate
The XLogP value of 3.7 indicates that Isopentyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Isopentyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 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 Isopentyl 2-thiophenecarboxylate?
The CAS number of Isopentyl 2-thiophenecarboxylate is 35250-84-1.
What is the molecular formula of Isopentyl 2-thiophenecarboxylate?
The molecular formula of Isopentyl 2-thiophenecarboxylate is C10H14O2S.
What is the molecular weight of Isopentyl 2-thiophenecarboxylate?
The molecular weight of Isopentyl 2-thiophenecarboxylate is 198.07 g/mol.
Where can I buy Isopentyl 2-thiophenecarboxylate?
You can request a quote for Isopentyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.