6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one
TL;DR: 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one (CAS 147713-35-7) is a chemical compound with molecular formula C10H9ClOS and molecular weight 212.00627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2-methyl-2,3-dihydrothiochromen-4-one
Also Known As: 4-BROMOBENZOFURAN, 6-Chloro-2-methylthiochroman-4-one, 6-chloro-2-methyl-3,4-dihydro-2H-1-benzothiin-4-one, 2-Methyl-6-chlorothiochroman-4-one, 6-chloro-2-methyl-2,3-dihydrothiochromen-4-one
Technical Specifications
| Molecular Formula | C10H9ClOS |
| Molecular Weight | 212.00627 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.00627 Da |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
| SMILES | CC1CC(=O)C2=C(S1)C=CC(=C2)Cl |
| InChIKey | NNOKTEYBUWSOCV-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one
Property Insights of 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one
The XLogP value of 3.0 indicates that 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-methyl-2,3-dihydro-4H-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
What is the CAS number of 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one?
The CAS number of 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one is 147713-35-7.
What is the molecular formula of 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one?
The molecular formula of 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one is C10H9ClOS.
What is the molecular weight of 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one?
The molecular weight of 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one is 212.00627 g/mol.
Where can I buy 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one?
You can request a quote for 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-2-methyl-2,3-dihydro-4H-1-benzothiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.