2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)
TL;DR: 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) (CAS 2218-05-5) is a chemical compound with molecular formula C9H14ClNS and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-1-phenylethanethiol;hydrochloride
Also Known As: alpha-((Methylamino)methyl)benzenemethanethiol hydrochloride, 2-(methylamino)-1-phenylethanethiol hydrochloride, 2-(methylamino)-1-phenylethanethiol,hydrochloride, 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1), Benzenemethanethiol, alpha-((methylamino)methyl)-, hydrochloride
| Molecular Formula | C9H14ClNS |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 2.2987 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05354 |
| Heavy Atoms | 12 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 2218-05-5 |
|---|---|
| SMILES | CNCC(C1=CC=CC=C1)S.Cl |
| InChIKey | SRXXNSWLJSNYGL-UHFFFAOYSA-N |
Product Overview
2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) (CAS 2218-05-5), with molecular formula C9H14ClNS and molecular weight 203.05 g/mol. IUPAC: 2-(methylamino)-1-phenylethanethiol;hydrochloride.
Chemical Property Profile of 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)
Property Insights of 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)
The XLogP value of 2.2987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 13.0 Ų, 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) has 3 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-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)?
The CAS number of 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) is 2218-05-5.
What is the molecular formula of 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)?
The molecular formula of 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) is C9H14ClNS.
What is the molecular weight of 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)?
The molecular weight of 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) is 203.05 g/mol.
Where can I buy 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)?
You can request a quote for 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.