![9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide structure](/static/products/3739/37391-75-6.webp)
9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide
TL;DR: 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide (CAS 37391-75-6) is a chemical compound with molecular formula C6H12N4O2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9λ6-thia-1,3,6,8-tetrazatricyclo[4.3.1.13,8]undecane 9,9-dioxide
Also Known As: Homopentamethylenetetramine, Epitope ID:167840, 9-thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide, 9-thia-1,3,6,7-tetraazatricyclo[4.3.1.13,8]undecane 9,9-diox, 9-Thia-1,3,6,8-tetrazatricyclo(4.3.1.1(sup 3,8))undecane, 9,9-dioxide
| Molecular Formula | C6H12N4O2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.0681 |
| Heavy Atoms | 13 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 37391-75-6 |
|---|---|
| SMILES | C1CN2CN3CN1CN(C2)S3(=O)=O |
| InChIKey | WJEZQLYNQHFQIZ-UHFFFAOYSA-N |
Product Overview
9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide (CAS 37391-75-6), with molecular formula C6H12N4O2S and molecular weight 204.07 g/mol. IUPAC: 9λ6-thia-1,3,6,8-tetrazatricyclo[4.3.1.13,8]undecane 9,9-dioxide.
Chemical Property Profile of 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide
Property Insights of 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide
The XLogP value of -0.8 indicates that 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.5 Ų, 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide has 0 hydrogen bond donor(s) and 6 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 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide?
The CAS number of 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide is 37391-75-6.
What is the molecular formula of 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide?
The molecular formula of 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide is C6H12N4O2S.
What is the molecular weight of 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide?
The molecular weight of 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide is 204.07 g/mol.
Where can I buy 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide?
You can request a quote for 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.