硫氰酸4-氯苯酯
TL;DR: 硫氰酸4-氯苯酯 (CAS 3226-37-7) is a chemical compound with molecular formula C7H4ClNS and molecular weight 168.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸4-氯苯酯
(4-chlorophenyl) thiocyanate
Also Known As: 4-chlorophenyl thiocyanate, 4-Chlorophenylthiocyanate, p-Chlorophenylthiocyanate, (4-chlorophenyl) thiocyanate, 4-Chlorobenzenethiocyanate
| Molecular Formula | C7H4ClNS |
|---|---|
| Molecular Weight | 168.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.9753 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 3226-37-7 |
|---|---|
| SMILES | C1=CC(=CC=C1SC#N)Cl |
| InChIKey | AUQXBIOKBXZSPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫氰酸4-氯苯酯 (CAS 3226-37-7), with molecular formula C7H4ClNS and molecular weight 168.98 g/mol. IUPAC: (4-chlorophenyl) thiocyanate.
Chemical Property Profile of 硫氰酸4-氯苯酯
Property Insights of 硫氰酸4-氯苯酯
The XLogP value of 3.1 indicates that 硫氰酸4-氯苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 硫氰酸4-氯苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸4-氯苯酯 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 硫氰酸4-氯苯酯?
The CAS number of 硫氰酸4-氯苯酯 is 3226-37-7.
What is the molecular formula of 硫氰酸4-氯苯酯?
The molecular formula of 硫氰酸4-氯苯酯 is C7H4ClNS.
What is the molecular weight of 硫氰酸4-氯苯酯?
The molecular weight of 硫氰酸4-氯苯酯 is 168.98 g/mol.
Where can I buy 硫氰酸4-氯苯酯?
You can request a quote for 硫氰酸4-氯苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸4-氯苯酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸4-氯苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.