4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide
TL;DR: 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide (CAS 29976-33-8) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-oxo-2H-thiochromen-4-one
Also Known As: 3,3-dimethyl-1-oxo-2H-thiochromen-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide, 3,3-Dimethyl-2,3-dihydro-1-benzothiopyran-1,4-dione, RefChem:297435
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.0167 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 421.05063 |
Chemical Identifiers
| CAS Number | 29976-33-8 |
|---|---|
| SMILES | CC1(CS(=O)C2=CC=CC=C2C1=O)C |
Product Overview
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide (CAS 29976-33-8), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: 3,3-dimethyl-1-oxo-2H-thiochromen-4-one.
Chemical Property Profile of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide
Property Insights of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide
The XLogP value of 2.0167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide. With a topological polar surface area (TPSA) of 34.14 Ų, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide 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 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide?
The CAS number of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide is 29976-33-8.
What is the molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide?
The molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide is C11H12O2S.
What is the molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide?
The molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide is 208.06 g/mol.
Where can I buy 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide?
You can request a quote for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.