2,4-Dimethoxyphenyl isothiocyanate
TL;DR: 2,4-Dimethoxyphenyl isothiocyanate (CAS 33904-03-9) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-2,4-dimethoxybenzene
Also Known As: 2,4-Dimethoxyphenyl isothiocyanate, 1-isothiocyanato-2,4-dimethoxybenzene, 2-Methyl-3-chloroanisole, 2,4-DIMETHOXYPHENylisoTHIOCYANATE, 1-isothiocyanato-2,4-dimethoxy-benzene
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 2.4381 |
| Topological Polar Surface Area | 30.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 345.468 |
Chemical Identifiers
| CAS Number | 33904-03-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N=C=S)OC |
Product Overview
2,4-Dimethoxyphenyl isothiocyanate (CAS 33904-03-9), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 1-isothiocyanato-2,4-dimethoxybenzene.
Chemical Property Profile of 2,4-Dimethoxyphenyl isothiocyanate
Property Insights of 2,4-Dimethoxyphenyl isothiocyanate
The XLogP value of 2.4381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethoxyphenyl isothiocyanate. With a topological polar surface area (TPSA) of 30.82 Ų, 2,4-Dimethoxyphenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethoxyphenyl isothiocyanate 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 2,4-Dimethoxyphenyl isothiocyanate?
The CAS number of 2,4-Dimethoxyphenyl isothiocyanate is 33904-03-9.
What is the molecular formula of 2,4-Dimethoxyphenyl isothiocyanate?
The molecular formula of 2,4-Dimethoxyphenyl isothiocyanate is C9H9NO2S.
What is the molecular weight of 2,4-Dimethoxyphenyl isothiocyanate?
The molecular weight of 2,4-Dimethoxyphenyl isothiocyanate is 195.04 g/mol.
Where can I buy 2,4-Dimethoxyphenyl isothiocyanate?
You can request a quote for 2,4-Dimethoxyphenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethoxyphenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethoxyphenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.