thianthrene

Thianthrene structural formula

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


12. Saturation vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of water) partition coefficient: 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. Polarizability10-24cm3): 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.

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