Benzothiazine
Structural formula
| Business number | 023E |
|---|---|
| Molecular formula | C15H14ClN3O4S3 |
| Molecular weight | 431.94 |
| label |
benzyl sulfide chlorothiazide, Benzothiazide, 3-((Benzylthio)methyl)-6-chloro-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
Numbering system
CAS number:91-33-8
MDL number:MFCD00078969
EINECS number:202-061-0
RTECS number:DK8400000
BRN number:None
PubChem number:24891974
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 103.96
2. Molar volume (cm3/mol): 259.0
3. Isotonic specific volume (90.2K ): 756.4
4. Surface tension (dyne/cm): 72.6
5. Polarizability (10-24cm3): 41.21
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 3
6. Topological molecule polar surface area 161
7. Number of heavy atoms: 26
8. Surface charge: 0
9. Complexity: 739
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