Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one
TL;DR: Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one (CAS 19456-19-0) is a chemical compound with molecular formula C6H10O3S and molecular weight 162.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
Also Known As: trans-1,2-Cyclohexylene sulfite, 1,2-CYCLOHEXANEDIOL, CYCLIC SULFITE, (E)-, 1,2-Cyclohexanediol, cyclic sulfite, trans-, Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one, Hexahydro-1,3,2-benzodioxathiole 2-oxide, trans-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O3S |
| Molecular Weight | 162.03506 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.03506 Da |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
| SMILES | C1CCC2C(C1)OS(=O)O2 |
| InChIKey | FKYAVRCOLQKIBY-UHFFFAOYSA-N |
Chemical Property Profile of Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one
Property Insights of Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one. With a topological polar surface area (TPSA) of 54.7 Ų, Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one?
The CAS number of Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one is 19456-19-0.
What is the molecular formula of Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one?
The molecular formula of Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one is C6H10O3S.
What is the molecular weight of Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one?
The molecular weight of Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one is 162.03506 g/mol.
Where can I buy Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one?
You can request a quote for Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one?
Yes, CoreyChem provides custom synthesis services for Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.