2-(Decylamino)ethanethiol
TL;DR: 2-(Decylamino)ethanethiol (CAS 5891-06-5) is a chemical compound with molecular formula C12H27NS and molecular weight 217.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(decylamino)ethanethiol
Also Known As: 2-(Decylamino)ethanethiol, Ethanethiol, 2-(decylamino)-, 2-n-Decylaminoethanethiol, N-(n-Decyl)aminoethanethiol, DAET
| Molecular Formula | C12H27NS |
|---|---|
| Molecular Weight | 217.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 217.18642 |
| Heavy Atoms | 14 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 5891-06-5 |
|---|---|
| SMILES | CCCCCCCCCCNCCS |
| InChIKey | WOWHRXFAFVDNAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Decylamino)ethanethiol (CAS 5891-06-5), with molecular formula C12H27NS and molecular weight 217.19 g/mol. IUPAC: 2-(decylamino)ethanethiol.
Chemical Property Profile of 2-(Decylamino)ethanethiol
Property Insights of 2-(Decylamino)ethanethiol
The XLogP value of 4.6 indicates that 2-(Decylamino)ethanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.0 Ų, 2-(Decylamino)ethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Decylamino)ethanethiol has 2 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 2-(Decylamino)ethanethiol?
The CAS number of 2-(Decylamino)ethanethiol is 5891-06-5.
What is the molecular formula of 2-(Decylamino)ethanethiol?
The molecular formula of 2-(Decylamino)ethanethiol is C12H27NS.
What is the molecular weight of 2-(Decylamino)ethanethiol?
The molecular weight of 2-(Decylamino)ethanethiol is 217.19 g/mol.
Where can I buy 2-(Decylamino)ethanethiol?
You can request a quote for 2-(Decylamino)ethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Decylamino)ethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Decylamino)ethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.