3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide
TL;DR: 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide (CAS 64741-13-5) 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.
3-phenylsulfanyl-2,5-dihydrothiophene 1,1-dioxide
Also Known As: Maybridge4_002364, 3-phenylthio-3-sulfolene, 2-Cyclohepten-1-yl-phenylsulfid, 3-(phenylthio)-2,5-dihydrothiophene 1,1-dioxide, 3-phenylsulfanyl-2,5-dihydrothiophene 1,1-dioxide
| Molecular Formula | C10H10O2S2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.091 |
| 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 | 64741-13-5 |
|---|---|
| SMILES | C1C=C(CS1(=O)=O)SC2=CC=CC=C2 |
Product Overview
3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide (CAS 64741-13-5), with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol. IUPAC: 3-phenylsulfanyl-2,5-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide
Property Insights of 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide
The XLogP value of 2.091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 34.14 Ų, 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide 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)-2,5-dihydrothiophene 1,1-dioxide?
The CAS number of 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide is 64741-13-5.
What is the molecular formula of 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide?
The molecular formula of 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide is C10H10O2S2.
What is the molecular weight of 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide?
The molecular weight of 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide is 226.01 g/mol.
Where can I buy 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide?
You can request a quote for 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylthio)-2,5-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.