Sulfoxide Sulfoxide
Structural formula
| Business number | 03CK |
|---|---|
| Molecular formula | C18H28O3S |
| Molecular weight | 324.48 |
| label |
synergistic sulfone, 5-[2-(Octylsulfinyl)propyl]-1,3-benzodioxolane, sulfoxide, Sulfoxyl, Sulphoxide, Sulfoxide-cide, Sulfoxone sodium, Sulfoxy(R), N-octyl Sulfoxide of isosafrole, 1-(2,3-Methylendioxyfenyl)-2-(oktylsufinyl)propan, 1,2-(methylenedioxy)-4-(2-(octylsulfinyl)propyl)-benzen, heterocyclic compounds, Synergist |
Numbering system
CAS number:120-62-7
MDL number:None
EINECS number:204-412-3
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
1, acute toxicity: rat oral LD50: 2g/kg; rabbit subcutaneously LD50: 9g/kg
2, tumorigenicity: mice oral TDLO: 31g/kg /2Y-C
3, reproductive toxicity: mice (female) subcutaneous TDLO: 90mg/kg/6-14D
4, mutagenic toxicity: mouse lymphocyte mutation: 2500ug/L
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 92.48
2. Molar volume（m3/ mol）：291.8
3. isotonic ratio（90.2K）：765.6
4. Surface Tension(dyne/cm)：47.3
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 36.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 10
5. Number of tautomers: none
6. Topological molecule polar surface area 54.7
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 334
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocentersg: 0pt”>（90.2K)：765.6
4. Surface Tension(dyne/cm)：47.3
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 36.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 10
5. Number of tautomers: none
6. Topological molecule polar surface area 54.7
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 334
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
:2
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Covalent bond units Quantity:1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet