2H-thiochromene 1,1-dioxide
TL;DR: 2H-thiochromene 1,1-dioxide (CAS 6581-29-9) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-thiochromene 1,1-dioxide
Also Known As: 2H-thiochromene 1,1-dioxide, 2h-1-benzothiopyran-1,1-dioxide
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.4871 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 429.59668 |
Chemical Identifiers
| CAS Number | 6581-29-9 |
|---|---|
| SMILES | C1C=CC2=CC=CC=C2S1(=O)=O |
Product Overview
2H-thiochromene 1,1-dioxide (CAS 6581-29-9), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: 2H-thiochromene 1,1-dioxide.
Chemical Property Profile of 2H-thiochromene 1,1-dioxide
Property Insights of 2H-thiochromene 1,1-dioxide
The XLogP value of 1.4871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-thiochromene 1,1-dioxide. With a topological polar surface area (TPSA) of 34.14 Ų, 2H-thiochromene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-thiochromene 1,1-dioxide 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 2H-thiochromene 1,1-dioxide?
The CAS number of 2H-thiochromene 1,1-dioxide is 6581-29-9.
What is the molecular formula of 2H-thiochromene 1,1-dioxide?
The molecular formula of 2H-thiochromene 1,1-dioxide is C9H8O2S.
What is the molecular weight of 2H-thiochromene 1,1-dioxide?
The molecular weight of 2H-thiochromene 1,1-dioxide is 180.02 g/mol.
Where can I buy 2H-thiochromene 1,1-dioxide?
You can request a quote for 2H-thiochromene 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 2H-thiochromene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-thiochromene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.