4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene
TL;DR: 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene (CAS 14596-50-0) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(isothiocyanatomethyl)-1,2-dimethoxybenzene
Also Known As: 3,4-Dimethoxybenzyl isothiocyanate, 4-(isothiocyanatomethyl)-1,2-dimethoxybenzene, 3,4-Dimethoxybenzylisothiocyanate, Benzene, 4-(isothiocyanatomethyl)-1,2-dimethoxy-, 1-(2,6-Dimethoxybenzyl isothiocyanate
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 2.3066 |
| Topological Polar Surface Area | 30.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 359.13968 |
Chemical Identifiers
| CAS Number | 14596-50-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN=C=S)OC |
Product Overview
4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene (CAS 14596-50-0), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 4-(isothiocyanatomethyl)-1,2-dimethoxybenzene.
Chemical Property Profile of 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene
Property Insights of 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene
The XLogP value of 2.3066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene. With a topological polar surface area (TPSA) of 30.82 Ų, 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Isothiocyanatomethyl)-1,2-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 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene?
The CAS number of 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene is 14596-50-0.
What is the molecular formula of 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene?
The molecular formula of 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene is C10H11NO2S.
What is the molecular weight of 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene?
The molecular weight of 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene is 209.05 g/mol.
Where can I buy 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene?
You can request a quote for 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.