![2-[Benzyl(2-sulfanylethyl)amino]ethanethiol structure](/static/products/151/1517-91-5.png)
2-[Benzyl(2-sulfanylethyl)amino]ethanethiol
TL;DR: 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol (CAS 1517-91-5) is a chemical compound with molecular formula C11H17NS2 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(2-sulfanylethyl)amino]ethanethiol
Also Known As: 2,2 -(Benzylimino)diethanethiol, N,N-Bis(2-mercaptoethyl)benzylamine, 2,2 -Benzyliminobis(ethanethiol), 2,2 -(Benzylimino)bis(ethanethiol), 2-[benzyl(2-sulfanylethyl)amino]ethanethiol
| Molecular Formula | C11H17NS2 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 5.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.08025 |
| Heavy Atoms | 14 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 1517-91-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCS)CCS |
| InChIKey | TZGMELAPLVPIGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[Benzyl(2-sulfanylethyl)amino]ethanethiol (CAS 1517-91-5), with molecular formula C11H17NS2 and molecular weight 227.08 g/mol. IUPAC: 2-[benzyl(2-sulfanylethyl)amino]ethanethiol.
Chemical Property Profile of 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol
Property Insights of 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol. With a topological polar surface area (TPSA) of 5.2 Ų, 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol 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-[Benzyl(2-sulfanylethyl)amino]ethanethiol?
The CAS number of 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol is 1517-91-5.
What is the molecular formula of 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol?
The molecular formula of 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol is C11H17NS2.
What is the molecular weight of 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol?
The molecular weight of 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol is 227.08 g/mol.
Where can I buy 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol?
You can request a quote for 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-[Benzyl(2-sulfanylethyl)amino]ethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.