3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one
TL;DR: 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one (CAS 771-17-5) 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.
3-methyl-2,3-dihydrothiochromen-4-one
Also Known As: Thiochroman-4-one, 3-methyl-, 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one, 3-Methylthiochroman-4-one, 2,3-Dihydro-3-methyl-4H-1-benzothiopyran-4-one, 3-methyl-2,3-dihydrothiochromen-4-one
| Molecular Formula | C10H10OS |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.5 |
| 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 | 771-17-5 |
|---|---|
| SMILES | CC1CSC2=CC=CC=C2C1=O |
| InChIKey | XCJJYQRFPYKZAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one (CAS 771-17-5), with molecular formula C10H10OS and molecular weight 178.05 g/mol. IUPAC: 3-methyl-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one
Property Insights of 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one. With a topological polar surface area (TPSA) of 42.4 Ų, 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one 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 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one?
The CAS number of 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one is 771-17-5.
What is the molecular formula of 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one?
The molecular formula of 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one is C10H10OS.
What is the molecular weight of 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one?
The molecular weight of 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one is 178.05 g/mol.
Where can I buy 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one?
You can request a quote for 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.