![1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate structure](/static/products/5230/52302-51-9.webp)
1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate
TL;DR: 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate (CAS 52302-51-9) is a chemical compound with molecular formula C7H13N5S and molecular weight 199.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate
Also Known As: EINECS 257-829-8, Hexamethylene tetramine thiocyanate, Hexamethylenetetramine thiocyanate, Thiocyanic acid, compound with 1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane, Thiocyanicacid,compd.with1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane
| Molecular Formula | C7H13N5S |
|---|---|
| Molecular Weight | 199.09 g/mol |
| LogP | -2.42252 |
| Topological Polar Surface Area | 37.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.08917 |
| Heavy Atoms | 13 |
| Complexity | 168.8837 |
Chemical Identifiers
| CAS Number | 52302-51-9 |
|---|---|
| SMILES | C1[NH+]2CN3CN1CN(C2)C3.C(#N)[S-] |
Product Overview
1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate (CAS 52302-51-9), with molecular formula C7H13N5S and molecular weight 199.09 g/mol. IUPAC: 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate.
Chemical Property Profile of 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate
Property Insights of 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate
The XLogP value of -2.42252 indicates that 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.95 Ų, 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate has 1 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 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate?
The CAS number of 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate is 52302-51-9.
What is the molecular formula of 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate?
The molecular formula of 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate is C7H13N5S.
What is the molecular weight of 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate?
The molecular weight of 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate is 199.09 g/mol.
Where can I buy 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate?
You can request a quote for 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.