2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate
TL;DR: 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate (CAS 141492-50-4) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-isothiocyanato-2,3-dihydro-1,4-benzodioxine
Also Known As: 6-isothiocyanato-2,3-dihydro-1,4-benzodioxine, 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate, 2,4-Dimethoxy-6-nitrotoluene, 6-isothiocyanato-2,3-dihydrobenzo[b][1,4]dioxine, 1,4-Benzodioxin, 2,3-dihydro-6-isothiocyanato-
Technical Specifications
| Molecular Formula | C9H7NO2S |
| Molecular Weight | 193.01974 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.01974 Da |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)N=C=S |
| InChIKey | KALNNFRLHRAJNK-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate
Property Insights of 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate. Following Lipinski's Rule of Five, 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate 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 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate?
The CAS number of 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate is 141492-50-4.
What is the molecular formula of 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate?
The molecular formula of 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate is C9H7NO2S.
What is the molecular weight of 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate?
The molecular weight of 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate is 193.01974 g/mol.
Where can I buy 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate?
You can request a quote for 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate?
Yes, CoreyChem provides custom synthesis services for 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.