S-2-(3-methylaminopropylamino)ethanethiol
TL;DR: S-2-(3-methylaminopropylamino)ethanethiol (CAS 117062-90-5) is a chemical compound with molecular formula C6H16N2S and molecular weight 148.10342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(methylamino)propylamino]ethanethiol
Also Known As: S-2-(3-Methylaminopropylamino)ethanethiol, 2-[3-(methylamino)propylamino]ethanethiol, 3,7-Diazaoctane-1-thiol, Cid 146673, WR 255591
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H16N2S |
| Molecular Weight | 148.10342 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 25.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 148.10342 Da |
| Heavy Atoms | 9 |
| Complexity | 50.0 |
| SMILES | CNCCCNCCS |
| InChIKey | XYLUJZDXASMNBC-UHFFFAOYSA-N |
Chemical Property Profile of S-2-(3-methylaminopropylamino)ethanethiol
Property Insights of S-2-(3-methylaminopropylamino)ethanethiol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-2-(3-methylaminopropylamino)ethanethiol. With a topological polar surface area (TPSA) of 25.1 Ų, S-2-(3-methylaminopropylamino)ethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-2-(3-methylaminopropylamino)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 S-2-(3-methylaminopropylamino)ethanethiol?
The CAS number of S-2-(3-methylaminopropylamino)ethanethiol is 117062-90-5.
What is the molecular formula of S-2-(3-methylaminopropylamino)ethanethiol?
The molecular formula of S-2-(3-methylaminopropylamino)ethanethiol is C6H16N2S.
What is the molecular weight of S-2-(3-methylaminopropylamino)ethanethiol?
The molecular weight of S-2-(3-methylaminopropylamino)ethanethiol is 148.10342 g/mol.
Where can I buy S-2-(3-methylaminopropylamino)ethanethiol?
You can request a quote for S-2-(3-methylaminopropylamino)ethanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-2-(3-methylaminopropylamino)ethanethiol?
Yes, CoreyChem provides custom synthesis services for S-2-(3-methylaminopropylamino)ethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.