structural formula
| business number | 03cd |
|---|---|
| molecular formula | c9h9nos2 |
| molecular weight | 211.30 |
| label |
6-ethoxy-2-mercaptobenzothiazole, 6-ethoxy-2-mercaptobenthiazole, timtec-bb sbb007712, 2(3h)-benzothiazolethione, 6-ethoxy-, 2-benzothiazolethiol, 6-ethoxy-, 2-mercapto-6-ethoxybenzothiazole, 6-ethoxy-1,3-benzothiazol-2-yl hydrosulfide, 6-ethoxy-2(3h)-benzothiazolethion, 6-ethoxy-2-benzothiazolethio, usaf pd-58, heterocyclic compounds |
numbering system
cas number:120-53-6
mdl number:mfcd00005782
einecs number:204-405-5
rtecs number:dl6498000
brn number:152313
pubchem number:24848385
physical property data
none yet
toxicological data
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 60.05
2. molar volume（ m3/mol )：159.3
3. isotonic ratio（90.2k）：433.3
4. surface tension(dyne/cm)：54.6
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability: 23.80
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 2
5. number of tautomers: 2
6. topological molecule polar surface area 78.6
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 210
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
font; mso-ascii-font-family: ‘times new roman’; mso-bidi-font-family: arial; mso-hansi-font-family: ‘times new roman’; mso-font-kerning: 0pt”>（ 10-24cm3）：
7. polarizability: 23.80
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 2
5. number of tautomers: 2
6. topological molecule polar surface area 78.6
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 210
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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