3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide
TL;DR: 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide (CAS 32633-50-4) is a chemical compound with molecular formula C16H20OS and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-methyl-5-phenylthiopyran 1-oxide
Also Known As: 3-tert-butyl-1-methyl-5-phenylthiopyran 1-oxide, 3-tert-butyl-1-methyl-5-phenyl-1, E4-thiopyran 1-oxide, 3-tert-butyl-1-methyl-5-phenyl-thiopyran 1-oxide, 3-tert-Butyl-1-methyl-5-phenyl-1lambda~6~-thiopyran-1-one
| Molecular Formula | C16H20OS |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.12347 |
| Heavy Atoms | 18 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 32633-50-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CS(=C1)(=O)C)C2=CC=CC=C2 |
| InChIKey | LAXORZUBXBFWEH-UHFFFAOYSA-N |
Product Overview
3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide (CAS 32633-50-4), with molecular formula C16H20OS and molecular weight 260.12 g/mol. IUPAC: 3-tert-butyl-1-methyl-5-phenylthiopyran 1-oxide.
Chemical Property Profile of 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide
Property Insights of 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide has 0 hydrogen bond donor(s) and 1 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-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide?
The CAS number of 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide is 32633-50-4.
What is the molecular formula of 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide?
The molecular formula of 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide is C16H20OS.
What is the molecular weight of 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide?
The molecular weight of 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide is 260.12 g/mol.
Where can I buy 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide?
You can request a quote for 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-1-methyl-5-phenylthiopyran 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.