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
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