2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate
TL;DR: 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate (CAS 306278-48-8) is a chemical compound with molecular formula C9H6N2O4S and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) thiocyanate
Also Known As: 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate, 7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl thiocyanate, (7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) thiocyanate, 6-NITRO-7-THIOCYANATO-2,3-DIHYDRO-BENZO(1,4)DIOXINE, [(7-NITRO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)SULFANYL]FORMONITRILE
| Molecular Formula | C9H6N2O4S |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 1.93918 |
| Topological Polar Surface Area | 85.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.00482 |
| Heavy Atoms | 16 |
| Complexity | 483.13272 |
Chemical Identifiers
| CAS Number | 306278-48-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)SC#N)[N+](=O)[O-] |
Product Overview
2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate (CAS 306278-48-8), with molecular formula C9H6N2O4S and molecular weight 238.00 g/mol. IUPAC: (7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) thiocyanate.
Chemical Property Profile of 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate
Property Insights of 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate
The XLogP value of 1.93918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate. The TPSA of 85.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate. Following Lipinski's Rule of Five, 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate?
The CAS number of 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate is 306278-48-8.
What is the molecular formula of 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate?
The molecular formula of 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate is C9H6N2O4S.
What is the molecular weight of 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate?
The molecular weight of 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate is 238.00 g/mol.
Where can I buy 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate?
You can request a quote for 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.