structural formula
| business number | 0363 |
|---|---|
| molecular formula | c9h17no2s |
| molecular weight | 203.3 |
| label |
2-(2-butoxyethoxy)ethylthiocyanate, 2-(2-butoxyethoxy)ethyl thiocyanate, heterocyclic compounds, synergist |
numbering system
cas number:112-56-1
mdl number:none
einecs number:203-985-7
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 55.14
2. molar volume (m3/mol）：197.1
3. isotonic specific volume (90.2k ): 488.5
4. surface tension (dyne/cm):37.6
5. polarizability（10-24cm3):21.86
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 9
5. number of tautomers: none
6. topological molecule polar surface area 67.6
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 144
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
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
storage method
none
synthesis method
none
purpose
none
