S-(3-Aminopropyl) dihydrogen phosphorothioate
TL;DR: S-(3-Aminopropyl) dihydrogen phosphorothioate (CAS 63717-20-4) is a chemical compound with molecular formula C3H10NO3PS and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminopropylsulfanylphosphonic acid
Also Known As: S-(3-Aminopropyl) dihydrogen phosphorothioate, 3-aminopropylsulfanylphosphonic acid, [(3-aminopropyl)sulfanyl]phosphonic acid, Phosphorothioic acid, S-(3-aminopropyl) ester, Thiophosphorsaeure-S-(3-amino-propylester)
| Molecular Formula | C3H10NO3PS |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.0119 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 63717-20-4 |
|---|---|
| SMILES | C(CN)CSP(=O)(O)O |
| InChIKey | AKGOVJIZHPVYEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(3-Aminopropyl) dihydrogen phosphorothioate (CAS 63717-20-4), with molecular formula C3H10NO3PS and molecular weight 171.01 g/mol. IUPAC: 3-aminopropylsulfanylphosphonic acid.
Chemical Property Profile of S-(3-Aminopropyl) dihydrogen phosphorothioate
Property Insights of S-(3-Aminopropyl) dihydrogen phosphorothioate
The XLogP value of -4.0 indicates that S-(3-Aminopropyl) dihydrogen phosphorothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3-Aminopropyl) dihydrogen phosphorothioate. Following Lipinski's Rule of Five, S-(3-Aminopropyl) dihydrogen phosphorothioate has 3 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-(3-Aminopropyl) dihydrogen phosphorothioate?
The CAS number of S-(3-Aminopropyl) dihydrogen phosphorothioate is 63717-20-4.
What is the molecular formula of S-(3-Aminopropyl) dihydrogen phosphorothioate?
The molecular formula of S-(3-Aminopropyl) dihydrogen phosphorothioate is C3H10NO3PS.
What is the molecular weight of S-(3-Aminopropyl) dihydrogen phosphorothioate?
The molecular weight of S-(3-Aminopropyl) dihydrogen phosphorothioate is 171.01 g/mol.
Where can I buy S-(3-Aminopropyl) dihydrogen phosphorothioate?
You can request a quote for S-(3-Aminopropyl) dihydrogen phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-Aminopropyl) dihydrogen phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(3-Aminopropyl) dihydrogen phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.