Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1)
TL;DR: Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) (CAS 35871-70-6) is a chemical compound with molecular formula C9H24N2O6P2S2 and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-phosphonosulfanylpropylamino)propylamino]propylsulfanylphosphonic acid
Also Known As: N,N'-Trimethylenebis(sodium S-2-aminoethylhydrogen phosphorothioate), Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1), N,N'-Trimethylenebis[s-3-aminopropyl-phosphorothioic acid, N,N'-Trimethylenebis(s-3-aminopropyl-phosphorothioic acid, 3,3 -(Trimethylenebisimino)di(propane-1-thiol)bisphosphate
| Molecular Formula | C9H24N2O6P2S2 |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | -6.9 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 382.0551 |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 35871-70-6 |
|---|---|
| SMILES | C(CNCCCSP(=O)(O)O)CNCCCSP(=O)(O)O |
| InChIKey | LZXUGCWQXVQIDR-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) (CAS 35871-70-6), with molecular formula C9H24N2O6P2S2 and molecular weight 382.06 g/mol. IUPAC: 3-[3-(3-phosphonosulfanylpropylamino)propylamino]propylsulfanylphosphonic acid.
Chemical Property Profile of Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1)
Property Insights of Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1)
The XLogP value of -6.9 indicates that Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1)?
The CAS number of Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) is 35871-70-6.
What is the molecular formula of Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1)?
The molecular formula of Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) is C9H24N2O6P2S2.
What is the molecular weight of Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1)?
The molecular weight of Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) is 382.06 g/mol.
Where can I buy Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1)?
You can request a quote for Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.