3-(Methylsulfonyl)thiophene
TL;DR: 3-(Methylsulfonyl)thiophene (CAS 4989-59-7) is a chemical compound with molecular formula C5H6O2S2 and molecular weight 161.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonylthiophene
Also Known As: 3-methylsulfonylthiophene, 3-methanesulfonylthiophene, 3-(Methylsulfonyl)thiophene, methyl 3-thienyl sulfone, 3-Methylsulfon-thiophen
| Molecular Formula | C5H6O2S2 |
|---|---|
| Molecular Weight | 161.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.98093 |
| Heavy Atoms | 9 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 4989-59-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CSC=C1 |
| InChIKey | PWBIAEVWEMNPLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylsulfonyl)thiophene (CAS 4989-59-7), with molecular formula C5H6O2S2 and molecular weight 161.98 g/mol. IUPAC: 3-methylsulfonylthiophene.
Chemical Property Profile of 3-(Methylsulfonyl)thiophene
Property Insights of 3-(Methylsulfonyl)thiophene
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulfonyl)thiophene. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulfonyl)thiophene. Following Lipinski's Rule of Five, 3-(Methylsulfonyl)thiophene 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 3-(Methylsulfonyl)thiophene?
The CAS number of 3-(Methylsulfonyl)thiophene is 4989-59-7.
What is the molecular formula of 3-(Methylsulfonyl)thiophene?
The molecular formula of 3-(Methylsulfonyl)thiophene is C5H6O2S2.
What is the molecular weight of 3-(Methylsulfonyl)thiophene?
The molecular weight of 3-(Methylsulfonyl)thiophene is 161.98 g/mol.
Where can I buy 3-(Methylsulfonyl)thiophene?
You can request a quote for 3-(Methylsulfonyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfonyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfonyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.