Thiochroman-4-one, 2-methyl-, 1-oxide
TL;DR: Thiochroman-4-one, 2-methyl-, 1-oxide (CAS 23086-34-2) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-oxo-2,3-dihydrothiochromen-4-one
Also Known As: Thiochroman-4-one, 2-methyl-, 1-oxide, 2-methylthiochroman-4-one 1-oxide, 2-methyl-1-oxo-2,3-dihydrothiochromen-4-one, 2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-, 1-oxide
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 23086-34-2 |
|---|---|
| SMILES | CC1CC(=O)C2=CC=CC=C2S1=O |
| InChIKey | UBTQFXYAEHTTCH-UHFFFAOYSA-N |
Product Overview
Thiochroman-4-one, 2-methyl-, 1-oxide (CAS 23086-34-2), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 2-methyl-1-oxo-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of Thiochroman-4-one, 2-methyl-, 1-oxide
Property Insights of Thiochroman-4-one, 2-methyl-, 1-oxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiochroman-4-one, 2-methyl-, 1-oxide. With a topological polar surface area (TPSA) of 53.4 Ų, Thiochroman-4-one, 2-methyl-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiochroman-4-one, 2-methyl-, 1-oxide 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 Thiochroman-4-one, 2-methyl-, 1-oxide?
The CAS number of Thiochroman-4-one, 2-methyl-, 1-oxide is 23086-34-2.
What is the molecular formula of Thiochroman-4-one, 2-methyl-, 1-oxide?
The molecular formula of Thiochroman-4-one, 2-methyl-, 1-oxide is C10H10O2S.
What is the molecular weight of Thiochroman-4-one, 2-methyl-, 1-oxide?
The molecular weight of Thiochroman-4-one, 2-methyl-, 1-oxide is 194.04 g/mol.
Where can I buy Thiochroman-4-one, 2-methyl-, 1-oxide?
You can request a quote for Thiochroman-4-one, 2-methyl-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiochroman-4-one, 2-methyl-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Thiochroman-4-one, 2-methyl-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.