p-Dimethylaminophenyl thiocyanate
TL;DR: p-Dimethylaminophenyl thiocyanate (CAS 7152-80-9) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)phenyl] thiocyanate
Also Known As: 4-(Dimethylamino)phenyl thiocyanate, Defoliant 2929 RP, p-Thiocyanodimethylaniline, Caswell No. 359E, Dimethylaminorhodanbenzol
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| Solubility | 4.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 7152-80-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)SC#N |
| InChIKey | WCCIEZDFRJREQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Dimethylaminophenyl thiocyanate (CAS 7152-80-9), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: [4-(dimethylamino)phenyl] thiocyanate.
Chemical Property Profile of p-Dimethylaminophenyl thiocyanate
Property Insights of p-Dimethylaminophenyl thiocyanate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Dimethylaminophenyl thiocyanate. With a topological polar surface area (TPSA) of 52.3 Ų, p-Dimethylaminophenyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Dimethylaminophenyl thiocyanate has 0 hydrogen bond donor(s) and 3 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-Dimethylaminophenyl thiocyanate?
The CAS number of p-Dimethylaminophenyl thiocyanate is 7152-80-9.
What is the molecular formula of p-Dimethylaminophenyl thiocyanate?
The molecular formula of p-Dimethylaminophenyl thiocyanate is C9H10N2S.
What is the molecular weight of p-Dimethylaminophenyl thiocyanate?
The molecular weight of p-Dimethylaminophenyl thiocyanate is 178.06 g/mol.
Where can I buy p-Dimethylaminophenyl thiocyanate?
You can request a quote for p-Dimethylaminophenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Dimethylaminophenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for p-Dimethylaminophenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.