Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1)
TL;DR: Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) (CAS 127914-27-6) is a chemical compound with molecular formula C5H14N3O3PS and molecular weight 227.04935 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-amino-3-iminopropyl)amino]ethylsulfanylphosphonic acid
Also Known As: C5H14N3O3PS.1/2H2.O, Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1), 3-((2-(Phosphonothio)ethyl)amino)propanimidamide hydrate (2:1), C5-H14-N3-O3-P-S.1/2H2.O, S-(2-((2'-Amidinoethyl)amino)ethyl)phosphorothioic acid hemihydrate
Technical Specifications
| Molecular Formula | C5H14N3O3PS |
| Molecular Weight | 227.04935 g/mol |
| XLogP | -4.9 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 227.04935 Da |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
| SMILES | C(CNCCSP(=O)(O)O)C(=N)N |
| InChIKey | BQZHDIWPSLDWQZ-UHFFFAOYSA-N |
Chemical Property Profile of Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1)
Property Insights of Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1)
The XLogP value of -4.9 indicates that Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1)?
The CAS number of Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) is 127914-27-6.
What is the molecular formula of Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1)?
The molecular formula of Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) is C5H14N3O3PS.
What is the molecular weight of Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1)?
The molecular weight of Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) is 227.04935 g/mol.
Where can I buy Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1)?
You can request a quote for Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1)?
Yes, CoreyChem provides custom synthesis services for Propanimidamide, 3-((2-(phosphonothio)ethyl)amino)-, hydrate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.