p-Xylylene Dithiocyanate
TL;DR: p-Xylylene Dithiocyanate (CAS 62855-80-5) is a chemical compound with molecular formula C10H8N2S2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Also Known As: p-Xylylene Dithiocyanate, p-XTC, p-Xylylenedithiocyanate, p-xylylene diisothiocyanate, 1,4-bis(thiocyanatomethyl)benzene
| Molecular Formula | C10H8N2S2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 3.11516 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0129 |
| Heavy Atoms | 14 |
| Complexity | 322.19376 |
Chemical Identifiers
| CAS Number | 62855-80-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC#N)CSC#N |
Product Overview
p-Xylylene Dithiocyanate (CAS 62855-80-5), with molecular formula C10H8N2S2 and molecular weight 220.01 g/mol. IUPAC: [4-(thiocyanatomethyl)phenyl]methyl thiocyanate.
Chemical Property Profile of p-Xylylene Dithiocyanate
Property Insights of p-Xylylene Dithiocyanate
The XLogP value of 3.11516 indicates that p-Xylylene Dithiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, p-Xylylene Dithiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Xylylene Dithiocyanate 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 p-Xylylene Dithiocyanate?
The CAS number of p-Xylylene Dithiocyanate is 62855-80-5.
What is the molecular formula of p-Xylylene Dithiocyanate?
The molecular formula of p-Xylylene Dithiocyanate is C10H8N2S2.
What is the molecular weight of p-Xylylene Dithiocyanate?
The molecular weight of p-Xylylene Dithiocyanate is 220.01 g/mol.
Where can I buy p-Xylylene Dithiocyanate?
You can request a quote for p-Xylylene Dithiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Xylylene Dithiocyanate?
Yes, KEHONG BIO provides custom synthesis services for p-Xylylene Dithiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.