6-Bromo-4,4-dimethylthiochroman
TL;DR: 6-Bromo-4,4-dimethylthiochroman (CAS 135913-02-9) is a chemical compound with molecular formula C11H13BrS and molecular weight 255.99213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-4,4-dimethyl-2,3-dihydrothiochromene
Also Known As: 6-BROMO-4,4-DIMETHYLTHIOCHROMAN, 6-Bromo-4,4-dimethylthiochromane, 6-bromo-4,4-dimethyl-2,3-dihydrothiochromene, 6-bromo-4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran, 6-bromo-4,4-dimethyl-thiochromane
Technical Specifications
| Molecular Formula | C11H13BrS |
| Molecular Weight | 255.99213 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.99213 Da |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
| SMILES | CC1(CCSC2=C1C=C(C=C2)Br)C |
| InChIKey | FLNJCJQFSGXLIR-UHFFFAOYSA-N |
Chemical Property Profile of 6-Bromo-4,4-dimethylthiochroman
Property Insights of 6-Bromo-4,4-dimethylthiochroman
The XLogP value of 4.4 indicates that 6-Bromo-4,4-dimethylthiochroman is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 6-Bromo-4,4-dimethylthiochroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-4,4-dimethylthiochroman has 0 hydrogen bond donor(s) and 1 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-Bromo-4,4-dimethylthiochroman?
The CAS number of 6-Bromo-4,4-dimethylthiochroman is 135913-02-9.
What is the molecular formula of 6-Bromo-4,4-dimethylthiochroman?
The molecular formula of 6-Bromo-4,4-dimethylthiochroman is C11H13BrS.
What is the molecular weight of 6-Bromo-4,4-dimethylthiochroman?
The molecular weight of 6-Bromo-4,4-dimethylthiochroman is 255.99213 g/mol.
Where can I buy 6-Bromo-4,4-dimethylthiochroman?
You can request a quote for 6-Bromo-4,4-dimethylthiochroman directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Bromo-4,4-dimethylthiochroman?
Yes, CoreyChem provides custom synthesis services for 6-Bromo-4,4-dimethylthiochroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.