6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol
TL;DR: 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol (CAS 1005106-85-3) is a chemical compound with molecular formula C10H13ClOS and molecular weight 216.03757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol
Also Known As: 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol, 2H-1-Benzothiopyran-4-ol, 6-chloro-3,4,4a,8a-tetrahydro-2-methyl-, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran-4-ol
Technical Specifications
| Molecular Formula | C10H13ClOS |
| Molecular Weight | 216.03757 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.03757 Da |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
| SMILES | CC1CC(C2C=C(C=CC2S1)Cl)O |
| InChIKey | CDLMBTLYJNUUMV-UHFFFAOYSA-N |
Chemical Property Profile of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol
Property Insights of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol. With a topological polar surface area (TPSA) of 45.5 Ų, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol has 1 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-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol?
The CAS number of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol is 1005106-85-3.
What is the molecular formula of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol?
The molecular formula of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol is C10H13ClOS.
What is the molecular weight of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol?
The molecular weight of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol is 216.03757 g/mol.
Where can I buy 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol?
You can request a quote for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol?
Yes, CoreyChem provides custom synthesis services for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.