1,6-Dideoxy-1,6-diisothiocyanatohexitol
TL;DR: 1,6-Dideoxy-1,6-diisothiocyanatohexitol (CAS 73928-09-3) is a chemical compound with molecular formula C8H12N2O4S2 and molecular weight 264.02383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,6-diisothiocyanatohexane-2,3,4,5-tetrol
Also Known As: Dithiocyanomannitol, 1,6-Dithiocyanatomannitol, 1,6-Dithiocyano-1,6-dideoxy-D-mannitol, 1,6-dideoxy-1,6-diisothiocyanatohexitol, 1,6-diisothiocyanatohexane-2,3,4,5-tetrol
Technical Specifications
| Molecular Formula | C8H12N2O4S2 |
| Molecular Weight | 264.02383 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.02383 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | C(C(C(C(C(CN=C=S)O)O)O)O)N=C=S |
| InChIKey | MNRZTQOTQUQUBW-UHFFFAOYSA-N |
Chemical Property Profile of 1,6-Dideoxy-1,6-diisothiocyanatohexitol
Property Insights of 1,6-Dideoxy-1,6-diisothiocyanatohexitol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Dideoxy-1,6-diisothiocyanatohexitol. The TPSA of 170.0 Ų indicates high polarity, suggesting 1,6-Dideoxy-1,6-diisothiocyanatohexitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,6-Dideoxy-1,6-diisothiocyanatohexitol has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,6-Dideoxy-1,6-diisothiocyanatohexitol?
The CAS number of 1,6-Dideoxy-1,6-diisothiocyanatohexitol is 73928-09-3.
What is the molecular formula of 1,6-Dideoxy-1,6-diisothiocyanatohexitol?
The molecular formula of 1,6-Dideoxy-1,6-diisothiocyanatohexitol is C8H12N2O4S2.
What is the molecular weight of 1,6-Dideoxy-1,6-diisothiocyanatohexitol?
The molecular weight of 1,6-Dideoxy-1,6-diisothiocyanatohexitol is 264.02383 g/mol.
Where can I buy 1,6-Dideoxy-1,6-diisothiocyanatohexitol?
You can request a quote for 1,6-Dideoxy-1,6-diisothiocyanatohexitol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,6-Dideoxy-1,6-diisothiocyanatohexitol?
Yes, CoreyChem provides custom synthesis services for 1,6-Dideoxy-1,6-diisothiocyanatohexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.