2,4-Dichlorobenzoyl isothiocyanate
TL;DR: 2,4-Dichlorobenzoyl isothiocyanate (CAS 71404-25-6) is a chemical compound with molecular formula C8H3Cl2NOS and molecular weight 230.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichlorobenzoyl isothiocyanate
Also Known As: 2,4-dichlorobenzoyl isothiocyanate, 2,4-dichlorobenzene-1-carbonyl isothiocyanate, 2,4-Dichloro-1-benzenecarbonyl isothiocyanate, 2,4-dichloro-N-(sulfanylidenemethylidene)benzamide
| Molecular Formula | C8H3Cl2NOS |
|---|---|
| Molecular Weight | 230.93 g/mol |
| LogP | 3.2364 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.93124 |
| Heavy Atoms | 13 |
| Complexity | 399.13055 |
Chemical Identifiers
| CAS Number | 71404-25-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)N=C=S |
Product Overview
2,4-Dichlorobenzoyl isothiocyanate (CAS 71404-25-6), with molecular formula C8H3Cl2NOS and molecular weight 230.93 g/mol. IUPAC: 2,4-dichlorobenzoyl isothiocyanate.
Chemical Property Profile of 2,4-Dichlorobenzoyl isothiocyanate
Property Insights of 2,4-Dichlorobenzoyl isothiocyanate
The XLogP value of 3.2364 indicates that 2,4-Dichlorobenzoyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 2,4-Dichlorobenzoyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzoyl isothiocyanate has 0 hydrogen bond donor(s) and 2 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-Dichlorobenzoyl isothiocyanate?
The CAS number of 2,4-Dichlorobenzoyl isothiocyanate is 71404-25-6.
What is the molecular formula of 2,4-Dichlorobenzoyl isothiocyanate?
The molecular formula of 2,4-Dichlorobenzoyl isothiocyanate is C8H3Cl2NOS.
What is the molecular weight of 2,4-Dichlorobenzoyl isothiocyanate?
The molecular weight of 2,4-Dichlorobenzoyl isothiocyanate is 230.93 g/mol.
Where can I buy 2,4-Dichlorobenzoyl isothiocyanate?
You can request a quote for 2,4-Dichlorobenzoyl 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-Dichlorobenzoyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzoyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.