2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)
TL;DR: 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1) (CAS 100861-11-8) is a chemical compound with molecular formula C9H14ClNS and molecular weight 203.05354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanyl-2-phenylethanamine;hydrochloride
Also Known As: beta-Methylthio-beta-phenylethylamine hydrochloride, Phenethylamine, beta-(methylthio)-, hydrochloride, 2-methylsulfanyl-2-phenylethanamine hydrochloride, 2-methylsulfanyl-2-phenylethanamine,hydrochloride, 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C9H14ClNS |
| Molecular Weight | 203.05354 g/mol |
| XLogP | 2.4712 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05354 Da |
| Heavy Atoms | 12 |
| Complexity | 99.0 |
| SMILES | CSC(CN)C1=CC=CC=C1.Cl |
| InChIKey | HSHJNYBMAGUHEW-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)
Property Insights of 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)
The XLogP value of 2.4712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 51.3 Ų, 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1) 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
What is the CAS number of 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)?
The CAS number of 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1) is 100861-11-8.
What is the molecular formula of 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)?
The molecular formula of 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1) is C9H14ClNS.
What is the molecular weight of 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)?
The molecular weight of 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1) is 203.05354 g/mol.
Where can I buy 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)?
You can request a quote for 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 2-(Methylsulfanyl)-2-phenylethan-1-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.