4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-
TL;DR: 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- (CAS 826-86-8) is a chemical compound with molecular formula C10H10OS and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2,3-dihydrothiochromen-4-one
Also Known As: 2-methylthiochroman-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-, 2-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one, 2-Methyl-4-thiochromanone, Thiochroman-4-one, 2-methyl-
| Molecular Formula | C10H10OS |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.04524 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 826-86-8 |
|---|---|
| SMILES | CC1CC(=O)C2=CC=CC=C2S1 |
| InChIKey | YSYYFHVHCXBCCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- (CAS 826-86-8), with molecular formula C10H10OS and molecular weight 178.05 g/mol. IUPAC: 2-methyl-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-
Property Insights of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-. With a topological polar surface area (TPSA) of 42.4 Ų, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- 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-2-methyl-?
The CAS number of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- is 826-86-8.
What is the molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-?
The molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- is C10H10OS.
What is the molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-?
The molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- is 178.05 g/mol.
Where can I buy 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-?
You can request a quote for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- 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-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.