thioacetanilide
Structural formula
| Business number | 070R |
|---|---|
| Molecular formula | C8H9NS |
| Molecular weight | 151.23 |
| label |
N-Phenylthioacetamide, N-Phenylethanethioamide, N-Phenylthioacetamide, CH3CSNHC6H5, Amines |
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. Polarizability（10-24cm3):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
Purpose
None yet