Captamine Hydrochloride
TL;DR: Captamine Hydrochloride (CAS 13242-44-9) is a chemical compound with molecular formula C4H12ClNS and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethanethiol;hydrochloride
Also Known As: Captamine hydrochloride, Captamine HCl, 2-(Dimethylamino)ethanethiol hydrochloride, MEDA, Thiofluro
| Molecular Formula | C4H12ClNS |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 4.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.0379 |
| Heavy Atoms | 7 |
| Complexity | 28.0 |
Chemical Identifiers
| CAS Number | 13242-44-9 |
|---|---|
| SMILES | CN(C)CCS.Cl |
| InChIKey | NRVFDGZJTPCULU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Captamine Hydrochloride (CAS 13242-44-9), with molecular formula C4H12ClNS and molecular weight 141.04 g/mol. IUPAC: 2-(dimethylamino)ethanethiol;hydrochloride.
Chemical Property Profile of Captamine Hydrochloride
Property Insights of Captamine Hydrochloride
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Captamine Hydrochloride. With a topological polar surface area (TPSA) of 4.2 Ų, Captamine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Captamine Hydrochloride 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
Frequently Asked Questions
What is the CAS number of Captamine Hydrochloride?
The CAS number of Captamine Hydrochloride is 13242-44-9.
What is the molecular formula of Captamine Hydrochloride?
The molecular formula of Captamine Hydrochloride is C4H12ClNS.
What is the molecular weight of Captamine Hydrochloride?
The molecular weight of Captamine Hydrochloride is 141.04 g/mol.
Where can I buy Captamine Hydrochloride?
You can request a quote for Captamine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Captamine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Captamine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.