7-Methoxythiochroman-4-one
TL;DR: 7-Methoxythiochroman-4-one (CAS 13851-03-1) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-2,3-dihydrothiochromen-4-one
Also Known As: 7-methoxythiochroman-4-one, 7-methoxy-thiochroman-4-one, ghl.PD_Mitscher_leg0.187, 7-methoxy-2,3-dihydrothiochromen-4-one, 7-methoxy-2,3-dihydro-4H-thiochromen-4-one
Technical Specifications
| Molecular Formula | C10H10O2S |
| Molecular Weight | 194.04015 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.04015 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | COC1=CC2=C(C=C1)C(=O)CCS2 |
| InChIKey | BBUKQYAMHUQRTO-UHFFFAOYSA-N |
Chemical Property Profile of 7-Methoxythiochroman-4-one
Property Insights of 7-Methoxythiochroman-4-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxythiochroman-4-one. With a topological polar surface area (TPSA) of 51.6 Ų, 7-Methoxythiochroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxythiochroman-4-one 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
What is the CAS number of 7-Methoxythiochroman-4-one?
The CAS number of 7-Methoxythiochroman-4-one is 13851-03-1.
What is the molecular formula of 7-Methoxythiochroman-4-one?
The molecular formula of 7-Methoxythiochroman-4-one is C10H10O2S.
What is the molecular weight of 7-Methoxythiochroman-4-one?
The molecular weight of 7-Methoxythiochroman-4-one is 194.04015 g/mol.
Where can I buy 7-Methoxythiochroman-4-one?
You can request a quote for 7-Methoxythiochroman-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Methoxythiochroman-4-one?
Yes, CoreyChem provides custom synthesis services for 7-Methoxythiochroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.