Ethanethiol, 2-(dibenzylamino)-
TL;DR: Ethanethiol, 2-(dibenzylamino)- (CAS 55415-31-1) is a chemical compound with molecular formula C16H19NS and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dibenzylamino)ethanethiol
Also Known As: N-Benzylcysteamin, 2-(dibenzylamino)ethanethiol, N-Benzylcysteamin [German], Ethanethiol, 2-(dibenzylamino)-, 2-dibenzylamino-ethanethiol
| Molecular Formula | C16H19NS |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 4.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.1238 |
| Heavy Atoms | 18 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 55415-31-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCS)CC2=CC=CC=C2 |
| InChIKey | ATHYIAZESPZDMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanethiol, 2-(dibenzylamino)- (CAS 55415-31-1), with molecular formula C16H19NS and molecular weight 257.12 g/mol. IUPAC: 2-(dibenzylamino)ethanethiol.
Chemical Property Profile of Ethanethiol, 2-(dibenzylamino)-
Property Insights of Ethanethiol, 2-(dibenzylamino)-
The XLogP value of 3.5 indicates that Ethanethiol, 2-(dibenzylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.2 Ų, Ethanethiol, 2-(dibenzylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethiol, 2-(dibenzylamino)- has 1 hydrogen bond donor(s) and 2 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 Ethanethiol, 2-(dibenzylamino)-?
The CAS number of Ethanethiol, 2-(dibenzylamino)- is 55415-31-1.
What is the molecular formula of Ethanethiol, 2-(dibenzylamino)-?
The molecular formula of Ethanethiol, 2-(dibenzylamino)- is C16H19NS.
What is the molecular weight of Ethanethiol, 2-(dibenzylamino)-?
The molecular weight of Ethanethiol, 2-(dibenzylamino)- is 257.12 g/mol.
Where can I buy Ethanethiol, 2-(dibenzylamino)-?
You can request a quote for Ethanethiol, 2-(dibenzylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-(dibenzylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(dibenzylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.