3-OXO-2,3-DIHYDROBENZO[B]THIOPHENE 1,1-DIOXIDE CAS1127-35-1

Details:

Density 1.498 g/cm3
Boiling point 424.6 º C
Molecular formula C8H6O3S
Molecular weight 182.19600
Flash point 294.2 º C
Accurate quality 182.00400
PSA 59.59000
LogP 1.73740
Steam pressure 2.05E-07mmHg at 25 ° C
Refractive index 1.623
Storage conditions: Keep away from sunlight and store in a ventilated and dry place. Products that are incompatible with keeping containers sealed: strong oxidants
Conditions to avoid stability: sunlight, thermal incompatibility (materials to avoid): hazardous decomposition products of strong oxidants: reactions that may generate carbon monoxide and sulfur oxide hazards: no known hazardous reactions
Molecular structure
1. Molar refractive index: 42.89
2. Molar volume (m3/mol): 121.5
3. Isometric volume (90.2K): 337.2
4. Surface tension (dyne/cm): 59.2
5. Dielectric constant: not available
6. Dipole distance (10-24cm 3): not available
7. Polarization rate: 17.00
Computational chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): 0.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 3
4. Number of rotatable Chemical bond: 0
5. Number of Tautomer: 2
6. Topological molecule Polar surface area 59.6
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 299
10. Number of Isotope Atoms: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 0
13. Determine the number of Chemical bond stereo centers: 0
14. Number of uncertain Chemical bond structure centers: 0
15. Number of Covalent bond units: 1

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