4-(1,3-Dithiolan-2-yl)aniline
TL;DR: 4-(1,3-Dithiolan-2-yl)aniline (CAS 94838-73-0) is a chemical compound with molecular formula C9H11NS2 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dithiolan-2-yl)aniline
Also Known As: 4-(1,3-dithiolan-2-yl)aniline, Maybridge1_004455, 4-(1,3-Dithiolan-2-yl)benzenamine, 4-(2,2-Dimethoxy-ethyl)-phenol, 4-(1,3-dithiolan-2-yl)phenylamine
| Molecular Formula | C9H11NS2 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.7474 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.0333 |
| Heavy Atoms | 12 |
| Complexity | 251.73598 |
Chemical Identifiers
| CAS Number | 94838-73-0 |
|---|---|
| SMILES | C1CSC(S1)C2=CC=C(C=C2)N |
Product Overview
4-(1,3-Dithiolan-2-yl)aniline (CAS 94838-73-0), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: 4-(1,3-dithiolan-2-yl)aniline.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)aniline
Property Insights of 4-(1,3-Dithiolan-2-yl)aniline
The XLogP value of 2.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Dithiolan-2-yl)aniline. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(1,3-Dithiolan-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)aniline has 1 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 4-(1,3-Dithiolan-2-yl)aniline?
The CAS number of 4-(1,3-Dithiolan-2-yl)aniline is 94838-73-0.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)aniline?
The molecular formula of 4-(1,3-Dithiolan-2-yl)aniline is C9H11NS2.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)aniline?
The molecular weight of 4-(1,3-Dithiolan-2-yl)aniline is 197.03 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)aniline?
You can request a quote for 4-(1,3-Dithiolan-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithiolan-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.