1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)
TL;DR: 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) (CAS 7447-44-1) is a chemical compound with molecular formula C4H12NO3PS and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-methylpropyl)sulfanylphosphonic acid
Also Known As: ThiophosphoricaciddihydrogenS- ester, S-(2-Amino-2-methylpropyl)phosphorothioate, (2-amino-2-methylpropyl)sulfanylphosphonic acid, Phosphorothioic acid, S-(2-amino-2-methylpropyl) ester, s-(2-amino-2-methylpropyl) dihydrogen phosphorothioate
| Molecular Formula | C4H12NO3PS |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.02756 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 7447-44-1 |
|---|---|
| SMILES | CC(C)(CSP(=O)(O)O)N |
| InChIKey | XIRIZZCWCUUYLK-UHFFFAOYSA-N |
Product Overview
1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) (CAS 7447-44-1), with molecular formula C4H12NO3PS and molecular weight 185.03 g/mol. IUPAC: (2-amino-2-methylpropyl)sulfanylphosphonic acid.
Chemical Property Profile of 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)
Property Insights of 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)
The XLogP value of -3.8 indicates that 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) 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 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester). Following Lipinski's Rule of Five, 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) 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 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)?
The CAS number of 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) is 7447-44-1.
What is the molecular formula of 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)?
The molecular formula of 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) is C4H12NO3PS.
What is the molecular weight of 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)?
The molecular weight of 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) is 185.03 g/mol.
Where can I buy 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)?
You can request a quote for 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.