Homothiotaurine
TL;DR: Homothiotaurine (CAS 53538-03-7) is a chemical compound with molecular formula C3H9NO2S2 and molecular weight 155.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxysulfonothioylpropan-1-amine
Also Known As: Homothiotaurine, Homothiotaurin, 3-Aminopropanethiosulfonic acid, 3-aminopropane-1-sulfonothioic o-acid, 3-hydroxysulfonothioylpropan-1-amine
| Molecular Formula | C3H9NO2S2 |
|---|---|
| Molecular Weight | 155.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.00748 |
| Heavy Atoms | 8 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 53538-03-7 |
|---|---|
| SMILES | C(CN)CS(=O)(=S)O |
| InChIKey | YKJDKJMRUBIVRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Homothiotaurine (CAS 53538-03-7), with molecular formula C3H9NO2S2 and molecular weight 155.01 g/mol. IUPAC: 3-hydroxysulfonothioylpropan-1-amine.
Chemical Property Profile of Homothiotaurine
Property Insights of Homothiotaurine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homothiotaurine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Homothiotaurine. Following Lipinski's Rule of Five, Homothiotaurine has 2 hydrogen bond donor(s) and 4 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 Homothiotaurine?
The CAS number of Homothiotaurine is 53538-03-7.
What is the molecular formula of Homothiotaurine?
The molecular formula of Homothiotaurine is C3H9NO2S2.
What is the molecular weight of Homothiotaurine?
The molecular weight of Homothiotaurine is 155.01 g/mol.
Where can I buy Homothiotaurine?
You can request a quote for Homothiotaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homothiotaurine?
Yes, KEHONG BIO provides custom synthesis services for Homothiotaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.