Thianthrene Thianthrene
Structural formula
| Business number | 025C |
|---|---|
| Molecular formula | C12H8S2 |
| Molecular weight | 216.32 |
| label |
diphenyl disulfide, 9,10-Dithiaanthracene |
Numbering system
CAS number:92-85-3
MDL number:MFCD00005065
EINECS number:202-197-0
RTECS number:None
BRN number:83046
PubChem number:24847488
Physical property data
1. Character:White or light yellow powder
2. Density (g/mL,25/4℃)： Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 157-159
5. Boiling point (ºC,Normal pressure):364-366°
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 65.50
2. Molar volume (m3/mol）：165.0
3. isotonic specific volume (90.2K):457.8
4. Surface Tension (dyne/cm):59.2
5. Polarizability（10-24cm3): 25.96
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: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 50.6
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 163
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
This product should be sealed and stored in a cool, dry place.
Synthesis method
None
Purpose
Organic synthesis.
mal style=”MARGIN: 0cm 0cm 0pt 72.75pt; TEXT-INDENT: -54.75pt; TEXT-ALIGN: left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>3. isotonic specific volume (90.2K):457.8
4. Surface Tension (dyne/cm):59.2
5. Polarizability（10-24cm3): 25.96
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: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 50.6
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 163
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
This product should be sealed and stored in a cool, dry place.
Synthesis method
None
Purpose
Organic synthesis.
