S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate
TL;DR: S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate (CAS 180510-68-3) is a chemical compound with molecular formula C6H16N2O2S2 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine
Also Known As: Taurine der., S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate, N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine, S-[2-(Methylamino)ethyl] 2-(methylamino)ethanesulfonothioate, N-methyl-2-(2-methylaminoethylsulfonylsulfanyl)ethanamine
| Molecular Formula | C6H16N2O2S2 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.06532 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 180510-68-3 |
|---|---|
| SMILES | CNCCSS(=O)(=O)CCNC |
| InChIKey | OMFGLVLQXPQVID-UHFFFAOYSA-N |
Product Overview
S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate (CAS 180510-68-3), with molecular formula C6H16N2O2S2 and molecular weight 212.07 g/mol. IUPAC: N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine.
Chemical Property Profile of S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate
Property Insights of S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate
The XLogP value of -0.8 indicates that S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate. Following Lipinski's Rule of Five, S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate has 2 hydrogen bond donor(s) and 5 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-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate?
The CAS number of S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate is 180510-68-3.
What is the molecular formula of S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate?
The molecular formula of S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate is C6H16N2O2S2.
What is the molecular weight of S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate?
The molecular weight of S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate is 212.07 g/mol.
Where can I buy S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate?
You can request a quote for S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.