S-苯甲酰半胱胺
TL;DR: S-苯甲酰半胱胺 (CAS 46053-57-0) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-苯甲酰半胱胺
S-(2-aminoethyl) benzenecarbothioate
Also Known As: S-BENZOYLCYSTEAMINE, S-(2-Aminoethyl) benzothioate, S-BENZOYL CYSTEAMINE HCl, S-(2-aminoethyl) benzenecarbothioate, 654-942-8
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 46053-57-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SCCN |
| InChIKey | RXAXEXYDIIGAFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-苯甲酰半胱胺 (CAS 46053-57-0), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: S-(2-aminoethyl) benzenecarbothioate.
Chemical Property Profile of S-苯甲酰半胱胺
Property Insights of S-苯甲酰半胱胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-苯甲酰半胱胺. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-苯甲酰半胱胺. Following Lipinski's Rule of Five, S-苯甲酰半胱胺 has 1 hydrogen bond donor(s) and 3 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 S-苯甲酰半胱胺?
The CAS number of S-苯甲酰半胱胺 is 46053-57-0.
What is the molecular formula of S-苯甲酰半胱胺?
The molecular formula of S-苯甲酰半胱胺 is C9H11NOS.
What is the molecular weight of S-苯甲酰半胱胺?
The molecular weight of S-苯甲酰半胱胺 is 181.06 g/mol.
Where can I buy S-苯甲酰半胱胺?
You can request a quote for S-苯甲酰半胱胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-苯甲酰半胱胺?
Yes, KEHONG BIO provides custom synthesis services for S-苯甲酰半胱胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.