2-(苄硫基)乙-1-胺
TL;DR: 2-(苄硫基)乙-1-胺 (CAS 1007-54-1) is a chemical compound with molecular formula C9H13NS and molecular weight 167.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(苄硫基)乙-1-胺
2-benzylsulfanylethanamine
Also Known As: 2-(benzylthio)ethanamine, 2-benzylsulfanylethanamine, S-benzylcysteamine, 2-(benzylthio)ethylamine, 2-(benzylsulfanyl)ethanamine
| Molecular Formula | C9H13NS |
|---|---|
| Molecular Weight | 167.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.07687 |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 1007-54-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCN |
| InChIKey | PNCWHIAZZSDHPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(苄硫基)乙-1-胺 (CAS 1007-54-1), with molecular formula C9H13NS and molecular weight 167.08 g/mol. IUPAC: 2-benzylsulfanylethanamine.
Chemical Property Profile of 2-(苄硫基)乙-1-胺
Property Insights of 2-(苄硫基)乙-1-胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(苄硫基)乙-1-胺. With a topological polar surface area (TPSA) of 51.3 Ų, 2-(苄硫基)乙-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(苄硫基)乙-1-胺 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 2-(苄硫基)乙-1-胺?
The CAS number of 2-(苄硫基)乙-1-胺 is 1007-54-1.
What is the molecular formula of 2-(苄硫基)乙-1-胺?
The molecular formula of 2-(苄硫基)乙-1-胺 is C9H13NS.
What is the molecular weight of 2-(苄硫基)乙-1-胺?
The molecular weight of 2-(苄硫基)乙-1-胺 is 167.08 g/mol.
Where can I buy 2-(苄硫基)乙-1-胺?
You can request a quote for 2-(苄硫基)乙-1-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(苄硫基)乙-1-胺?
Yes, KEHONG BIO provides custom synthesis services for 2-(苄硫基)乙-1-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.