4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline
TL;DR: 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline (CAS 80992-93-4) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline
Also Known As: 4-[(4,6-dimethylpyrimidin-2-yl)thio]aniline, Peakdale1_000234, 4-((4,6-DIMETHYLPYRIMIDIN-2-YL)THIO)ANILINE, 2-[(4-aminophenyl)thio]-4,6-dimethylpyrimidine, 4-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline
| Molecular Formula | C12H13N3S |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 2.82684 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08302 |
| Heavy Atoms | 16 |
| Complexity | 473.8671 |
Chemical Identifiers
| CAS Number | 80992-93-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC2=CC=C(C=C2)N)C |
Product Overview
4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline (CAS 80992-93-4), with molecular formula C12H13N3S and molecular weight 231.08 g/mol. IUPAC: 4-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline.
Chemical Property Profile of 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline
Property Insights of 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline
The XLogP value of 2.82684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline. With a topological polar surface area (TPSA) of 51.8 Ų, 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline has 1 hydrogen bond donor(s) and 4 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-((4,6-Dimethylpyrimidin-2-yl)thio)aniline?
The CAS number of 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline is 80992-93-4.
What is the molecular formula of 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline?
The molecular formula of 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline is C12H13N3S.
What is the molecular weight of 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline?
The molecular weight of 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline is 231.08 g/mol.
Where can I buy 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline?
You can request a quote for 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.