2-((3-Aminopropyl)amino)ethanethiol
TL;DR: 2-((3-Aminopropyl)amino)ethanethiol (CAS 31098-42-7) is a chemical compound with molecular formula C5H14N2S and molecular weight 134.08777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-aminopropylamino)ethanethiol
Also Known As: Amifostine thiol, 2-(3-aminopropylamino)ethanethiol, Amitiotine, Prostratin, 2-((3-Aminopropyl)amino)ethanethiol
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H14N2S |
| Molecular Weight | 134.08777 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 39.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 134.08777 Da |
| Heavy Atoms | 8 |
| Complexity | 41.0 |
| SMILES | C(CN)CNCCS |
| InChIKey | YHPLKWQJMAYFCN-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3-Aminopropyl)amino)ethanethiol
Property Insights of 2-((3-Aminopropyl)amino)ethanethiol
The XLogP value of -0.5 indicates that 2-((3-Aminopropyl)amino)ethanethiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.1 Ų, 2-((3-Aminopropyl)amino)ethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Aminopropyl)amino)ethanethiol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((3-Aminopropyl)amino)ethanethiol?
The CAS number of 2-((3-Aminopropyl)amino)ethanethiol is 31098-42-7.
What is the molecular formula of 2-((3-Aminopropyl)amino)ethanethiol?
The molecular formula of 2-((3-Aminopropyl)amino)ethanethiol is C5H14N2S.
What is the molecular weight of 2-((3-Aminopropyl)amino)ethanethiol?
The molecular weight of 2-((3-Aminopropyl)amino)ethanethiol is 134.08777 g/mol.
Where can I buy 2-((3-Aminopropyl)amino)ethanethiol?
You can request a quote for 2-((3-Aminopropyl)amino)ethanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3-Aminopropyl)amino)ethanethiol?
Yes, CoreyChem provides custom synthesis services for 2-((3-Aminopropyl)amino)ethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.