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