2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene
TL;DR: 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene (CAS 56771-74-5) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-isothiocyanatoethyl)-1,4-dimethoxybenzene
Also Known As: 2,5-Dimethoxyphenethyl isothiocyanate, 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene, 2,5-Dimethoxyphenethylisothiocyanate, 5778AE, 2,5-dimethyloxyphenethyl isothiocyanate
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 56771-74-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)CCN=C=S |
| InChIKey | QYVVYOAJVPHNPR-UHFFFAOYSA-N |
Product Overview
2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene (CAS 56771-74-5), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: 2-(2-isothiocyanatoethyl)-1,4-dimethoxybenzene.
Chemical Property Profile of 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene
Property Insights of 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene
The XLogP value of 3.6 indicates that 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene. Following Lipinski's Rule of Five, 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene 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-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene?
The CAS number of 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene is 56771-74-5.
What is the molecular formula of 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene?
The molecular formula of 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene is C11H13NO2S.
What is the molecular weight of 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene?
The molecular weight of 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene is 223.07 g/mol.
Where can I buy 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene?
You can request a quote for 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.