Thiophene, 3-(1-methylethyl)-
TL;DR: Thiophene, 3-(1-methylethyl)- (CAS 29488-27-5) is a chemical compound with molecular formula C7H10S and molecular weight 126.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylthiophene
Also Known As: Thiophene, 3-(1-methylethyl)-, 3-propan-2-ylthiophene, 3-(propan-2-yl)thiophene, 3-ISOPROPYLTHIOPHENE, RefChem:385261
| Molecular Formula | C7H10S |
|---|---|
| Molecular Weight | 126.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.05032 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 29488-27-5 |
|---|---|
| SMILES | CC(C)C1=CSC=C1 |
| InChIKey | LJPDBPCGTFTUDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophene, 3-(1-methylethyl)- (CAS 29488-27-5), with molecular formula C7H10S and molecular weight 126.05 g/mol. IUPAC: 3-propan-2-ylthiophene.
Chemical Property Profile of Thiophene, 3-(1-methylethyl)-
Property Insights of Thiophene, 3-(1-methylethyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophene, 3-(1-methylethyl)-. With a topological polar surface area (TPSA) of 28.2 Ų, Thiophene, 3-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 3-(1-methylethyl)- has 0 hydrogen bond donor(s) and 1 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 Thiophene, 3-(1-methylethyl)-?
The CAS number of Thiophene, 3-(1-methylethyl)- is 29488-27-5.
What is the molecular formula of Thiophene, 3-(1-methylethyl)-?
The molecular formula of Thiophene, 3-(1-methylethyl)- is C7H10S.
What is the molecular weight of Thiophene, 3-(1-methylethyl)-?
The molecular weight of Thiophene, 3-(1-methylethyl)- is 126.05 g/mol.
Where can I buy Thiophene, 3-(1-methylethyl)-?
You can request a quote for Thiophene, 3-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene, 3-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 3-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.