1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene
TL;DR: 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene (CAS 306935-82-0) is a chemical compound with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-isothiocyanato-2,5-dimethoxybenzene
Also Known As: 1-chloro-4-isothiocyanato-2,5-dimethoxybenzene, 4-Chloro-2,5-dimethoxyphenyl isothiocyanate, 4-Chloro-2,5-dimethoxyphenylisothiocyanate, 4-chloro-2,5-dimethoxybenzenisothiocyanate, 1-chloro-2,5-dimethoxy-4-isothiocyanatobenzene
| Molecular Formula | C9H8ClNO2S |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 3.0915 |
| Topological Polar Surface Area | 30.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.99643 |
| Heavy Atoms | 14 |
| Complexity | 388.6435 |
Chemical Identifiers
| CAS Number | 306935-82-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N=C=S)OC)Cl |
Product Overview
1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene (CAS 306935-82-0), with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol. IUPAC: 1-chloro-4-isothiocyanato-2,5-dimethoxybenzene.
Chemical Property Profile of 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene
Property Insights of 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene
The XLogP value of 3.0915 indicates that 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.82 Ų, 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-isothiocyanato-2,5-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 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene?
The CAS number of 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene is 306935-82-0.
What is the molecular formula of 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene?
The molecular formula of 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene is C9H8ClNO2S.
What is the molecular weight of 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene?
The molecular weight of 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene is 229.00 g/mol.
Where can I buy 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene?
You can request a quote for 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-isothiocyanato-2,5-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.