Thioacetanilide structural formula

Thioacetanilide structural formula

Structural formula

Business number 070R
Molecular formula C8H9NS
Molecular weight 151.23






Numbering system

CAS number:637-53-6

MDL number:MFCD00004942

EINECS number:211-288-4

RTECS number:AE7350000

BRN number:None

PubChem number:24849759

Physical property data

1. Characteristics: yellow crystalline powder.

2. Density (g/mL,25/4): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 76-79

5. Boiling point (ºC,Normal pressure): Undetermined

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. Saturated 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 partition coefficient (water): Undetermined

17 . Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Not determined .

Toxicological data

1, acute toxicity: Rat (oral) LD50: 2,635mg/kg
Mice (orally) LD50: 2,625mg/kg;
Mouse (peritoneal) LD50: 300mg/kg;
Guinea pig (oral) LD50: 1,775 mg/kg;

Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.

Ecological data

Do not discharge material into drains.

Molecular structure data

1. Molar refractive index: 47.78

2. Molar Volume (m3/mol):130.3

3. isotonic specific volume (90.2K):352.4

4. Surface Tension (dyne/cm):53.4

5. Polarizability10-24cm3):18.94

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 44.1

7.��Number of atoms: 10

8. Surface charge: 0

9. Complexity: 116

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

Keep away from oxides.

Storage method

Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet


None yet

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

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