2-(丁氨基)乙硫醇
TL;DR: 2-(丁氨基)乙硫醇 (CAS 5842-00-2) is a chemical compound with molecular formula C6H15NS and molecular weight 133.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(丁氨基)乙硫醇
2-(butylamino)ethanethiol
Also Known As: 2-(Butylamino)ethanethiol, Ethanethiol, 2-(butylamino)-, N-Butylcysteamine, (Butylamino)ethanethiol, 2-N-Butylaminoethanethiol
| Molecular Formula | C6H15NS |
|---|---|
| Molecular Weight | 133.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 133.09251 |
| Heavy Atoms | 8 |
| Complexity | 39.0 |
Chemical Identifiers
| CAS Number | 5842-00-2 |
|---|---|
| SMILES | CCCCNCCS |
| InChIKey | OUMFAUYLXGTBCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(丁氨基)乙硫醇 (CAS 5842-00-2), with molecular formula C6H15NS and molecular weight 133.09 g/mol. IUPAC: 2-(butylamino)ethanethiol.
Chemical Property Profile of 2-(丁氨基)乙硫醇
Property Insights of 2-(丁氨基)乙硫醇
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(丁氨基)乙硫醇. With a topological polar surface area (TPSA) of 13.0 Ų, 2-(丁氨基)乙硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(丁氨基)乙硫醇 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-(丁氨基)乙硫醇?
The CAS number of 2-(丁氨基)乙硫醇 is 5842-00-2.
What is the molecular formula of 2-(丁氨基)乙硫醇?
The molecular formula of 2-(丁氨基)乙硫醇 is C6H15NS.
What is the molecular weight of 2-(丁氨基)乙硫醇?
The molecular weight of 2-(丁氨基)乙硫醇 is 133.09 g/mol.
Where can I buy 2-(丁氨基)乙硫醇?
You can request a quote for 2-(丁氨基)乙硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(丁氨基)乙硫醇?
Yes, KEHONG BIO provides custom synthesis services for 2-(丁氨基)乙硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.