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2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
TL;DR: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline (CAS 150536-99-5) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
Also Known As: 2-((3,5-Dimethyl-1H-pyrazol-4-yl)thio)aniline, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline, 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)THIO]ANILINE, CHEMBRDG-BB 5225680, SDCCGSBI-0661968.P001
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 150536-99-5 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)SC2=CC=CC=C2N |
| InChIKey | OXZGNCVDJZPDAX-UHFFFAOYSA-N |
Product Overview
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline (CAS 150536-99-5), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline.
Chemical Property Profile of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
Property Insights of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline. Following Lipinski's Rule of Five, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline has 2 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 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline?
The CAS number of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline is 150536-99-5.
What is the molecular formula of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline?
The molecular formula of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline is C11H13N3S.
What is the molecular weight of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline?
The molecular weight of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline is 219.08 g/mol.
Where can I buy 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline?
You can request a quote for 2-[(3,5-dimethyl-1H-pyrazol-4-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 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.