Homopentamethylenetetramine
9λ6-thia-1,3,6,7-tetrazatricyclo[4.3.1.13,8]undecane 9,9-dioxide
Also Known As: Homopentamethylenetetramine|4-27-00-09580 (Beilstein Handbook Reference)|9-thia-1,3,6,7-tetraazatricyclo[4.3.1.13,8]undecane 9,9-dioxide|9-Thia-1,3,6,8-tetrazatricyclo(4.3.1.1(sup 3,8))undecane, 9,9-dioxide|9-thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide
CAS: 5422-71-9
| Molecular Formula | C6H12N4O2S |
|---|---|
| Molecular Weight | 204.0681 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.0681 |
| Monoisotopic Mass | 204.0681 |
| Heavy Atoms | 13 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 5422-71-9 |
|---|---|
| SMILES | C1CN2CN3CN1CC(N2)S3(=O)=O |
| InChIKey | HTDZLTBICKNWLG-UHFFFAOYSA-N |
Product Overview
Homopentamethylenetetramine (CAS 5422-71-9), with molecular formula C6H12N4O2S and molecular weight 204.0681 g/mol. IUPAC: 9λ6-thia-1,3,6,7-tetrazatricyclo[4.3.1.13,8]undecane 9,9-dioxide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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