3-(1,3-Dithian-2-yl)aniline
TL;DR: 3-(1,3-Dithian-2-yl)aniline (CAS 50427-93-5) is a chemical compound with molecular formula C10H13NS2 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dithian-2-yl)aniline
Also Known As: 3-(1,3-dithian-2-yl)aniline, 3-(1,3-Dithian-2-yl)benzenamine
| Molecular Formula | C10H13NS2 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 3.1375 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.04893 |
| Heavy Atoms | 13 |
| Complexity | 282.00818 |
Chemical Identifiers
| CAS Number | 50427-93-5 |
|---|---|
| SMILES | C1CSC(SC1)C2=CC(=CC=C2)N |
Product Overview
3-(1,3-Dithian-2-yl)aniline (CAS 50427-93-5), with molecular formula C10H13NS2 and molecular weight 211.05 g/mol. IUPAC: 3-(1,3-dithian-2-yl)aniline.
Chemical Property Profile of 3-(1,3-Dithian-2-yl)aniline
Property Insights of 3-(1,3-Dithian-2-yl)aniline
The XLogP value of 3.1375 indicates that 3-(1,3-Dithian-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 3-(1,3-Dithian-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Dithian-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 3-(1,3-Dithian-2-yl)aniline?
The CAS number of 3-(1,3-Dithian-2-yl)aniline is 50427-93-5.
What is the molecular formula of 3-(1,3-Dithian-2-yl)aniline?
The molecular formula of 3-(1,3-Dithian-2-yl)aniline is C10H13NS2.
What is the molecular weight of 3-(1,3-Dithian-2-yl)aniline?
The molecular weight of 3-(1,3-Dithian-2-yl)aniline is 211.05 g/mol.
Where can I buy 3-(1,3-Dithian-2-yl)aniline?
You can request a quote for 3-(1,3-Dithian-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 3-(1,3-Dithian-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Dithian-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.