2-(Isopropylthio)thiophene
TL;DR: 2-(Isopropylthio)thiophene (CAS 50878-65-4) is a chemical compound with molecular formula C7H10S2 and molecular weight 158.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylsulfanylthiophene
Also Known As: 2-(Isopropylthio)thiophene, Thiophene, 2-[(1-methylethyl)thio]-, 2-(2-Thienyl-thio)-propane, 2-propan-2-ylsulfanylthiophene, Thiophene, 2-(isopropylthio)-
| Molecular Formula | C7H10S2 |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0224 |
| Heavy Atoms | 9 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 50878-65-4 |
|---|---|
| SMILES | CC(C)SC1=CC=CS1 |
| InChIKey | INLCSHFGQRKEKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Isopropylthio)thiophene (CAS 50878-65-4), with molecular formula C7H10S2 and molecular weight 158.02 g/mol. IUPAC: 2-propan-2-ylsulfanylthiophene.
Chemical Property Profile of 2-(Isopropylthio)thiophene
Property Insights of 2-(Isopropylthio)thiophene
The XLogP value of 3.2 indicates that 2-(Isopropylthio)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 2-(Isopropylthio)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isopropylthio)thiophene has 0 hydrogen bond donor(s) and 2 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 2-(Isopropylthio)thiophene?
The CAS number of 2-(Isopropylthio)thiophene is 50878-65-4.
What is the molecular formula of 2-(Isopropylthio)thiophene?
The molecular formula of 2-(Isopropylthio)thiophene is C7H10S2.
What is the molecular weight of 2-(Isopropylthio)thiophene?
The molecular weight of 2-(Isopropylthio)thiophene is 158.02 g/mol.
Where can I buy 2-(Isopropylthio)thiophene?
You can request a quote for 2-(Isopropylthio)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isopropylthio)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropylthio)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.