![[2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate structure](/static/products/2425/2425-03-8.webp)
[2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
TL;DR: [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate (CAS 2425-03-8) is a chemical compound with molecular formula C10H7ClN2S2 and molecular weight 253.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Also Known As: 2-chloro-1,4-bis(thiocyanatomethyl)benzene, [2-chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate, (2-Chloro-1,4-phenylene)bis(methylene) bis(thiocyanate)
| Molecular Formula | C10H7ClN2S2 |
|---|---|
| Molecular Weight | 253.97 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.97392 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 2425-03-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC#N)Cl)CSC#N |
| InChIKey | SIDWYWZURVSQEU-UHFFFAOYSA-N |
Product Overview
[2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate (CAS 2425-03-8), with molecular formula C10H7ClN2S2 and molecular weight 253.97 g/mol. IUPAC: [2-chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate.
Chemical Property Profile of [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Property Insights of [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
The XLogP value of 3.5 indicates that [2-Chloro-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-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate. Following Lipinski's Rule of Five, [2-Chloro-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-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The CAS number of [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is 2425-03-8.
What is the molecular formula of [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The molecular formula of [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is C10H7ClN2S2.
What is the molecular weight of [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The molecular weight of [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is 253.97 g/mol.
Where can I buy [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
You can request a quote for [2-Chloro-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-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [2-Chloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.