1-Aziridineethanethiol
TL;DR: 1-Aziridineethanethiol (CAS 21693-92-5) is a chemical compound with molecular formula C4H9NS and molecular weight 103.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aziridin-1-yl)ethanethiol
Also Known As: 1-Aziridineethanethiol, N-(2-Mercaptoethyl)aziridine, N-(2-Mercaptoethyl)ethylenimine, 2-(aziridin-1-yl)ethanethiol, 2-(Aziridin-1-yl)ethane-1-thiol
| Molecular Formula | C4H9NS |
|---|---|
| Molecular Weight | 103.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 4.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.04557 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 21693-92-5 |
|---|---|
| SMILES | C1CN1CCS |
| InChIKey | KUYWAFAIYBPMPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Aziridineethanethiol (CAS 21693-92-5), with molecular formula C4H9NS and molecular weight 103.05 g/mol. IUPAC: 2-(aziridin-1-yl)ethanethiol.
Chemical Property Profile of 1-Aziridineethanethiol
Property Insights of 1-Aziridineethanethiol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridineethanethiol. With a topological polar surface area (TPSA) of 4.0 Ų, 1-Aziridineethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridineethanethiol 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 1-Aziridineethanethiol?
The CAS number of 1-Aziridineethanethiol is 21693-92-5.
What is the molecular formula of 1-Aziridineethanethiol?
The molecular formula of 1-Aziridineethanethiol is C4H9NS.
What is the molecular weight of 1-Aziridineethanethiol?
The molecular weight of 1-Aziridineethanethiol is 103.05 g/mol.
Where can I buy 1-Aziridineethanethiol?
You can request a quote for 1-Aziridineethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aziridineethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridineethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.