3-Phenylthio-4,5-dihydrothiophene-1,1-dione
TL;DR: 3-Phenylthio-4,5-dihydrothiophene-1,1-dione (CAS 20583-25-9) is a chemical compound with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
Also Known As: 3-phenylthio-4,5-dihydrothiophene-1,1-dione, 4-(phenylthio)-2,3-dihydrothiophene 1,1-dioxide, 3-phenylsulfanyl-4,5-dihydrothiophene 1,1-dioxide, 4-phenylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
| Molecular Formula | C10H10O2S2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.4386 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.01222 |
| Heavy Atoms | 14 |
| Complexity | 446.27017 |
Chemical Identifiers
| CAS Number | 20583-25-9 |
|---|---|
| SMILES | C1CS(=O)(=O)C=C1SC2=CC=CC=C2 |
Product Overview
3-Phenylthio-4,5-dihydrothiophene-1,1-dione (CAS 20583-25-9), with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol. IUPAC: 4-phenylsulfanyl-2,3-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 3-Phenylthio-4,5-dihydrothiophene-1,1-dione
Property Insights of 3-Phenylthio-4,5-dihydrothiophene-1,1-dione
The XLogP value of 2.4386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylthio-4,5-dihydrothiophene-1,1-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 3-Phenylthio-4,5-dihydrothiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylthio-4,5-dihydrothiophene-1,1-dione 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-Phenylthio-4,5-dihydrothiophene-1,1-dione?
The CAS number of 3-Phenylthio-4,5-dihydrothiophene-1,1-dione is 20583-25-9.
What is the molecular formula of 3-Phenylthio-4,5-dihydrothiophene-1,1-dione?
The molecular formula of 3-Phenylthio-4,5-dihydrothiophene-1,1-dione is C10H10O2S2.
What is the molecular weight of 3-Phenylthio-4,5-dihydrothiophene-1,1-dione?
The molecular weight of 3-Phenylthio-4,5-dihydrothiophene-1,1-dione is 226.01 g/mol.
Where can I buy 3-Phenylthio-4,5-dihydrothiophene-1,1-dione?
You can request a quote for 3-Phenylthio-4,5-dihydrothiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylthio-4,5-dihydrothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylthio-4,5-dihydrothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.