3-Methyl-1-(3′-phenylaminosulfonate)-5-pyrazolinone
Structural formula
| Business number | 020K |
|---|---|
| Molecular formula | C10H11N3O3S |
| Molecular weight | 253.28 |
| label |
3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonamide, 3-(4,5-Dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)-benzenesulfonamide |
Numbering system
CAS number:89-29-2
MDL number:MFCD00035707
EINECS number:201-895-2
RTECS number:None
BRN number:None
PubChem number:24880066
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 62.87
2. Molar volume (cm3/mol): 165.6
3. Isotonic specific volume (90.2K ): 471.1
4. Surface tension (dyne/cm): 65.5
5. Polarizability (10-24cm3): 24.92
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 101
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 452
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
