101517-87-7
Product Name:
2-Isobutyl-4,6-dimethyldihydro-4H-1,3,5-dithiazine
Formula:
C9H19NS2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear to pale yellow liquid; roasted, cocoa, peanut odour |
|---|---|
| Boiling Point | 104.00 to 115.00 °C. @ 2.50 mm Hg |
| Solubility | Soluble in propylene glycol, triacetin |
| Density | 0.961-0.967 |
| Refractive Index | 1.488-1.492 |
| Kovats Retention Index | 1423 |
COMPUTED DESCRIPTORS
| Molecular Weight | 205.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 205.09589196 g/mol |
| Monoisotopic Mass | 205.09589196 g/mol |
| Topological Polar Surface Area | 62.6 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 129 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |