3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid
TL;DR: 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid (CAS 68901-20-2) is a chemical compound with molecular formula C6H13NO3S3 and molecular weight 243.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylcarbamothioylsulfanyl)propane-1-sulfonic acid
Also Known As: 3-[(dimethylcarbamothioyl)sulfanyl]propane-1-sulfonic acid, 3-[[thioxomethyl]thio]propanesulphonicacid, 1-Propanesulfonic acid, 3-[[(dimethylamino)thioxomethyl]thio]-, 3-(((Dimethylamino)thioxomethyl)thio)propanesulphonic acid, 3-[[ thioxomethyl]thio]propanesulphonicacid
| Molecular Formula | C6H13NO3S3 |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.00575 |
| Heavy Atoms | 13 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 68901-20-2 |
|---|---|
| SMILES | CN(C)C(=S)SCCCS(=O)(=O)O |
| InChIKey | WRBSVISDQAINGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid (CAS 68901-20-2), with molecular formula C6H13NO3S3 and molecular weight 243.01 g/mol. IUPAC: 3-(dimethylcarbamothioylsulfanyl)propane-1-sulfonic acid.
Chemical Property Profile of 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid
Property Insights of 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid. Following Lipinski's Rule of Five, 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid has 1 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 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid?
The CAS number of 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid is 68901-20-2.
What is the molecular formula of 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid?
The molecular formula of 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid is C6H13NO3S3.
What is the molecular weight of 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid?
The molecular weight of 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid is 243.01 g/mol.
Where can I buy 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid?
You can request a quote for 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(((Dimethylamino)thioxomethyl)thio)propanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.