2-((4-Methylphenyl)dithio)ethanamine
TL;DR: 2-((4-Methylphenyl)dithio)ethanamine (CAS 756754-59-3) is a chemical compound with molecular formula C9H13NS2 and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)disulfanyl]ethanamine
Also Known As: 2-((4-Methylphenyl)dithio)ethanamine, S(SCCN)c1ccc(C)cc1, 4-(2-Amino-aethyldithio)-toluol, 2-(p-tolyldisulfanyl)ethanamine, 2-((4-Methylphenyl)dithio)ethylamine
| Molecular Formula | C9H13NS2 |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.04893 |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 756754-59-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SSCCN |
| InChIKey | DWWVFFBDYWJSGK-UHFFFAOYSA-N |
Product Overview
2-((4-Methylphenyl)dithio)ethanamine (CAS 756754-59-3), with molecular formula C9H13NS2 and molecular weight 199.05 g/mol. IUPAC: 2-[(4-methylphenyl)disulfanyl]ethanamine.
Chemical Property Profile of 2-((4-Methylphenyl)dithio)ethanamine
Property Insights of 2-((4-Methylphenyl)dithio)ethanamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methylphenyl)dithio)ethanamine. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Methylphenyl)dithio)ethanamine. Following Lipinski's Rule of Five, 2-((4-Methylphenyl)dithio)ethanamine 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 2-((4-Methylphenyl)dithio)ethanamine?
The CAS number of 2-((4-Methylphenyl)dithio)ethanamine is 756754-59-3.
What is the molecular formula of 2-((4-Methylphenyl)dithio)ethanamine?
The molecular formula of 2-((4-Methylphenyl)dithio)ethanamine is C9H13NS2.
What is the molecular weight of 2-((4-Methylphenyl)dithio)ethanamine?
The molecular weight of 2-((4-Methylphenyl)dithio)ethanamine is 199.05 g/mol.
Where can I buy 2-((4-Methylphenyl)dithio)ethanamine?
You can request a quote for 2-((4-Methylphenyl)dithio)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methylphenyl)dithio)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylphenyl)dithio)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.