(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate
TL;DR: (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate (CAS 51837-75-3) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,4-benzodioxin-3-ylmethyl thiocyanate
Also Known As: starbld0003316, 2,3-Dihydro-1,4-benzodioxin-2-ylmethyl thiocyanate, 2,3-dihydro-1,4-benzodioxin-3-ylmethyl thiocyanate, Thiocyanic acid, 1,4-benzodioxan-2-methyl ester, NCI60_021845
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 51837-75-3 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CSC#N |
| InChIKey | NIUTUCCPFPTZNP-UHFFFAOYSA-N |
Product Overview
(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate (CAS 51837-75-3), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl thiocyanate.
Chemical Property Profile of (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate
Property Insights of (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate. Following Lipinski's Rule of Five, (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate 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
Frequently Asked Questions
What is the CAS number of (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate?
The CAS number of (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate is 51837-75-3.
What is the molecular formula of (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate?
The molecular formula of (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate is C10H9NO2S.
What is the molecular weight of (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate?
The molecular weight of (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate is 207.04 g/mol.
Where can I buy (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate?
You can request a quote for (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl 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-1,4-benzodioxin-2-yl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.