5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline
TL;DR: 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline (CAS 733030-65-4) is a chemical compound with molecular formula C9H9ClN4S and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
Also Known As: 5-chloro-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline, 5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline, 5-chloro-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]aniline, 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline, 997-234-7
| Molecular Formula | C9H9ClN4S |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 2.2019 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.02365 |
| Heavy Atoms | 15 |
| Complexity | 482.71463 |
Chemical Identifiers
| CAS Number | 733030-65-4 |
|---|---|
| SMILES | CN1C=NN=C1SC2=C(C=C(C=C2)Cl)N |
Product Overview
5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline (CAS 733030-65-4), with molecular formula C9H9ClN4S and molecular weight 240.02 g/mol. IUPAC: 5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline.
Chemical Property Profile of 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline
Property Insights of 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline
The XLogP value of 2.2019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline. With a topological polar surface area (TPSA) of 56.73 Ų, 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)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 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline?
The CAS number of 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline is 733030-65-4.
What is the molecular formula of 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline?
The molecular formula of 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline is C9H9ClN4S.
What is the molecular weight of 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline?
The molecular weight of 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline is 240.02 g/mol.
Where can I buy 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline?
You can request a quote for 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.