Structural formula
| Business number | 03P8 |
|---|---|
| Molecular formula | C7H9NO3S |
| Molecular weight | 187.22 |
| label |
5-aminotoluene-2-sulfonic acid, m-toluidine to sulfonic acid, m-toluidine-4-sulfonic acid, m-Toluidine-4-sulfonic acid, 3-Methylaniline-4-sulphonic acid, aromatic compounds |
Numbering system
CAS number:133-78-8
MDL number:MFCD00035774
EINECS number:205-120-9
RTECS number:XT6325000
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
Skin/Eye irritation data
Rabbit Eye Contact ：500mg/24H
Ecological data
None
Molecular structure data
5. Molecular property data:
1、 Molar refractive index：45.54
2, Molar volume（m3/mol):126.4
3, Isotonic specific volume（90.2K）：365.3
4, Surface tension（3.0 dyne/cm SPAN>): 69.7
5, Polarizability（ 0.5 10-24cm3): 18.05
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 88.8
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 244
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
None
Synthesis method
None
Purpose
None
bsp; Polarizability（0.5 10-24cm 3):18.05
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 88.8
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 244
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
None
Synthesis method
None
Purpose
None
