Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate
TL;DR: Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate (CAS 2779-59-1) is a chemical compound with molecular formula C8H20N4O5S2 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-oxo-1,4-thiazepan-4-yl)ethyl]guanidine;sulfuric acid
Also Known As: Guanidine, (2-(hexahydro-1,4-thiazepin-4-yl)ethyl)-, S-oxide, sulfate, (2-(Tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)guanidine S-oxide sulfate, Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate, 2-[2-(1-oxo-1,4-thiazepan-4-yl)ethyl]guanidine; sulfuric acid, Sulfuric acid--N-[2-(1-oxo-1lambda~4~,4-thiazepan-4-yl)ethyl]guanidine (1/1)
| Molecular Formula | C8H20N4O5S2 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | -1.9386 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.08752 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 2779-59-1 |
|---|---|
| SMILES | C1CN(CCS(=O)C1)CCN=C(N)N.OS(=O)(=O)O |
| InChIKey | VEQBADLPGNAMEX-UHFFFAOYSA-N |
Product Overview
Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate (CAS 2779-59-1), with molecular formula C8H20N4O5S2 and molecular weight 316.09 g/mol. IUPAC: 2-[2-(1-oxo-1,4-thiazepan-4-yl)ethyl]guanidine;sulfuric acid.
Chemical Property Profile of Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate
Property Insights of Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate
The XLogP value of -1.9386 indicates that Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate has 4 hydrogen bond donor(s) and 8 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 Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate?
The CAS number of Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate is 2779-59-1.
What is the molecular formula of Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate?
The molecular formula of Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate is C8H20N4O5S2.
What is the molecular weight of Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate?
The molecular weight of Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate is 316.09 g/mol.
Where can I buy Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate?
You can request a quote for Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S-oxide, sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.