Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1)
TL;DR: Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) (CAS 37880-96-9) is a chemical compound with molecular formula C5H14ClNS and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl(2-sulfanylethyl)azanium chloride
Also Known As: Thiocholine chloride, Cholinethiol chloride, 2-Mercapto-N,N,N-trimethylethanaminium chloride, trimethyl(2-sulfanylethyl)azanium chloride, (2-Mercaptoethyl)trimethylammonium chloride
| Molecular Formula | C5H14ClNS |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | -2.37 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.05354 |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 37880-96-9 |
|---|---|
| SMILES | C[N+](C)(C)CCS.[Cl-] |
| InChIKey | JKUAUCQIEHEDSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) (CAS 37880-96-9), with molecular formula C5H14ClNS and molecular weight 155.05 g/mol. IUPAC: trimethyl(2-sulfanylethyl)azanium chloride.
Chemical Property Profile of Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1)
Property Insights of Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1)
The XLogP value of -2.37 indicates that Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 1.0 Ų, Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) 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 Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1)?
The CAS number of Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) is 37880-96-9.
What is the molecular formula of Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1)?
The molecular formula of Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) is C5H14ClNS.
What is the molecular weight of Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1)?
The molecular weight of Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) is 155.05 g/mol.
Where can I buy Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1)?
You can request a quote for Ethanaminium, 2-mercapto-N,N,N-trimethyl-, 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 Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanaminium, 2-mercapto-N,N,N-trimethyl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.