3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione
TL;DR: 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione (CAS 443652-35-5) is a chemical compound with molecular formula C9H14O3S3 and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butyl (1,1-dioxo-2,5-dihydrothiophen-3-yl)sulfanylmethanethioate
Also Known As: 3-(butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione, Butoxy-[(1,1-dioxo-2,5-dihydrothiophen-3-yl)sulfanyl]methanethione, O-butyl (1,1-dioxo-2,5-dihydrothiophen-3-yl)sulfanylmethanethioate, O-butyl S-(1,1-dioxido-2,5-dihydro-3-thienyl) dithiocarbonate, butyl [(1,1-dioxo-2,5-dihydro-1??-thiophen-3-yl)sulfanyl]methanethioate
| Molecular Formula | C9H14O3S3 |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 2.1335 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0105 |
| Heavy Atoms | 15 |
| Complexity | 356.79886 |
Chemical Identifiers
| CAS Number | 443652-35-5 |
|---|---|
| SMILES | CCCCOC(=S)SC1=CCS(=O)(=O)C1 |
Product Overview
3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione (CAS 443652-35-5), with molecular formula C9H14O3S3 and molecular weight 266.01 g/mol. IUPAC: O-butyl (1,1-dioxo-2,5-dihydrothiophen-3-yl)sulfanylmethanethioate.
Chemical Property Profile of 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione
Property Insights of 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione
The XLogP value of 2.1335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione has 0 hydrogen bond donor(s) and 5 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-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione?
The CAS number of 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione is 443652-35-5.
What is the molecular formula of 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione?
The molecular formula of 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione is C9H14O3S3.
What is the molecular weight of 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione?
The molecular weight of 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione is 266.01 g/mol.
Where can I buy 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione?
You can request a quote for 3-(Butoxythioxomethylthio)-2,5-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-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butoxythioxomethylthio)-2,5-dihydrothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.