![[2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate structure](/static/products/1300/13002-77-2.webp)
[2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
TL;DR: [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate (CAS 13002-77-2) is a chemical compound with molecular formula C10H6Cl2N2S2 and molecular weight 287.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Also Known As: [2,5-dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate|(2,5-Dichloro-1,4-phenylene)bis(methylene) bis(thiocyanate)
| Molecular Formula | C10H6Cl2N2S2 |
|---|---|
| Molecular Weight | 287.93 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.93494 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 13002-77-2 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)CSC#N)Cl)CSC#N |
| InChIKey | QDDBNZDOOLQRJO-UHFFFAOYSA-N |
Product Overview
[2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate (CAS 13002-77-2), with molecular formula C10H6Cl2N2S2 and molecular weight 287.93 g/mol. IUPAC: [2,5-dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate.
Chemical Property Profile of [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Property Insights of [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
The XLogP value of 4.2 indicates that [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate. Following Lipinski's Rule of Five, [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate 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-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The CAS number of [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is 13002-77-2.
What is the molecular formula of [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The molecular formula of [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is C10H6Cl2N2S2.
What is the molecular weight of [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The molecular weight of [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is 287.93 g/mol.
Where can I buy [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
You can request a quote for [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.