Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)
TL;DR: Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) (CAS 55322-71-9) is a chemical compound with molecular formula C9H25Cl4N7S3 and molecular weight 467.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris[2-[amino(azaniumylidene)methyl]sulfanylethyl]azanium tetrachloride
Also Known As: Tri(beta-isothioureido-S-ethyl)amine tetrahydrochloride, CARBAMIMIDOTHIOIC ACID, NITRILOTRI-2,1-ETHANEDIYL ESTER, TETRAHYDROCHLORIDE, Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4), tris[2-[amino(azaniumylidene)methyl]sulfanylethyl]azanium tetrachloride, RefChem:1092452
| Molecular Formula | C9H25Cl4N7S3 |
|---|---|
| Molecular Weight | 467.01 g/mol |
| LogP | -18.69 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 469.00583 |
| Heavy Atoms | 23 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 55322-71-9 |
|---|---|
| SMILES | C(CSC(=[NH2+])N)[NH+](CCSC(=[NH2+])N)CCSC(=[NH2+])N.[Cl-].[Cl-].[Cl-].[Cl-] |
| InChIKey | MELXETRWAFUJDV-UHFFFAOYSA-N |
Product Overview
Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) (CAS 55322-71-9), with molecular formula C9H25Cl4N7S3 and molecular weight 467.01 g/mol. IUPAC: tris[2-[amino(azaniumylidene)methyl]sulfanylethyl]azanium tetrachloride.
Chemical Property Profile of Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)
Property Insights of Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)
The XLogP value of -18.69 indicates that Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 235.0 Ų indicates high polarity, suggesting Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)?
The CAS number of Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) is 55322-71-9.
What is the molecular formula of Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)?
The molecular formula of Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) is C9H25Cl4N7S3.
What is the molecular weight of Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)?
The molecular weight of Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) is 467.01 g/mol.
Where can I buy Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)?
You can request a quote for Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)?
Yes, KEHONG BIO provides custom synthesis services for Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.