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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