2,5-Dimethoxybenzoyl isothiocyanate
TL;DR: 2,5-Dimethoxybenzoyl isothiocyanate (CAS 680213-10-9) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethoxybenzoyl isothiocyanate
Also Known As: 2,5-dimethoxybenzoyl isothiocyanate, 2,5-dimethoxybenzene-1-carbonyl isothiocyanate, 2,5-dimethoxy-N-(sulfanylidenemethylidene)benzamide
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 1.9468 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 424.67572 |
Chemical Identifiers
| CAS Number | 680213-10-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)N=C=S |
Product Overview
2,5-Dimethoxybenzoyl isothiocyanate (CAS 680213-10-9), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 2,5-dimethoxybenzoyl isothiocyanate.
Chemical Property Profile of 2,5-Dimethoxybenzoyl isothiocyanate
Property Insights of 2,5-Dimethoxybenzoyl isothiocyanate
The XLogP value of 1.9468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethoxybenzoyl isothiocyanate. With a topological polar surface area (TPSA) of 47.89 Ų, 2,5-Dimethoxybenzoyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethoxybenzoyl 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 2,5-Dimethoxybenzoyl isothiocyanate?
The CAS number of 2,5-Dimethoxybenzoyl isothiocyanate is 680213-10-9.
What is the molecular formula of 2,5-Dimethoxybenzoyl isothiocyanate?
The molecular formula of 2,5-Dimethoxybenzoyl isothiocyanate is C10H9NO3S.
What is the molecular weight of 2,5-Dimethoxybenzoyl isothiocyanate?
The molecular weight of 2,5-Dimethoxybenzoyl isothiocyanate is 223.03 g/mol.
Where can I buy 2,5-Dimethoxybenzoyl isothiocyanate?
You can request a quote for 2,5-Dimethoxybenzoyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethoxybenzoyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethoxybenzoyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.