2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene
TL;DR: 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene (CAS 35424-99-8) is a chemical compound with molecular formula C12H15NO2S and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-isothiocyanatopropyl)-1,4-dimethoxybenzene
Also Known As: 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene, Benzene, 2-(2-isothiocyanatopropyl)-1,4-dimethoxy-, 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene #, RefChem:250785
| Molecular Formula | C12H15NO2S |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.08235 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 35424-99-8 |
|---|---|
| SMILES | CC(CC1=C(C=CC(=C1)OC)OC)N=C=S |
| InChIKey | QKRWCVGUTUWPOC-UHFFFAOYSA-N |
Product Overview
2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene (CAS 35424-99-8), with molecular formula C12H15NO2S and molecular weight 237.08 g/mol. IUPAC: 2-(2-isothiocyanatopropyl)-1,4-dimethoxybenzene.
Chemical Property Profile of 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene
Property Insights of 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene
The XLogP value of 4.0 indicates that 2-(2-Isothiocyanatopropyl)-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-Isothiocyanatopropyl)-1,4-dimethoxybenzene. Following Lipinski's Rule of Five, 2-(2-Isothiocyanatopropyl)-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-Isothiocyanatopropyl)-1,4-dimethoxybenzene?
The CAS number of 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene is 35424-99-8.
What is the molecular formula of 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene?
The molecular formula of 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene is C12H15NO2S.
What is the molecular weight of 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene?
The molecular weight of 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene is 237.08 g/mol.
Where can I buy 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene?
You can request a quote for 2-(2-Isothiocyanatopropyl)-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-Isothiocyanatopropyl)-1,4-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.