2-(Phenylthio)aniline hydrochloride
TL;DR: 2-(Phenylthio)aniline hydrochloride (CAS 6764-13-2) is a chemical compound with molecular formula C12H12ClNS and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylaniline;hydrochloride
Also Known As: 2-(Phenylthio)aniline hydrochloride, 2-(Phenylthio)aniline, 2-Aminodiphenyl Sulfide, 1-Methyl-2-pyrrolidone, 2-phenylsulfanylaniline;hydrochloride
| Molecular Formula | C12H12ClNS |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 3.8418 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0379 |
| Heavy Atoms | 15 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 6764-13-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2N.Cl |
| InChIKey | XCFXJRCTEOTOJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylthio)aniline hydrochloride (CAS 6764-13-2), with molecular formula C12H12ClNS and molecular weight 237.04 g/mol. IUPAC: 2-phenylsulfanylaniline;hydrochloride.
Chemical Property Profile of 2-(Phenylthio)aniline hydrochloride
Property Insights of 2-(Phenylthio)aniline hydrochloride
The XLogP value of 3.8418 indicates that 2-(Phenylthio)aniline hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 2-(Phenylthio)aniline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylthio)aniline hydrochloride has 2 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 2-(Phenylthio)aniline hydrochloride?
The CAS number of 2-(Phenylthio)aniline hydrochloride is 6764-13-2.
What is the molecular formula of 2-(Phenylthio)aniline hydrochloride?
The molecular formula of 2-(Phenylthio)aniline hydrochloride is C12H12ClNS.
What is the molecular weight of 2-(Phenylthio)aniline hydrochloride?
The molecular weight of 2-(Phenylthio)aniline hydrochloride is 237.04 g/mol.
Where can I buy 2-(Phenylthio)aniline hydrochloride?
You can request a quote for 2-(Phenylthio)aniline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylthio)aniline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylthio)aniline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.