Disulphane
Basic information
- CAS
547-52-4- Standard SMILES
Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1- InChIKey
GCQZFVAHUZIDRP-UHFFFAOYSA-N- Molecular formula
- C12H13N3O4S2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.03474825
Names & identifiers
- Preferred name
- Disulphane
- IUPAC
- 4-amino-N-(4-sulfamoylphenyl)benzenesulfonamide
- English name
- disulon
- Molecular formula
- C12H13N3O4S2
- Molecular weight
- 327.38
Names & synonyms
DisulphaneBenzenesulfonamide, 4-amino-N-(4-(aminosulfonyl)phenyl)-RefChem:9205164-amino-N-(4-sulfamoylphenyl)benzenesulfonamide547-52-4N4-Sulfanilylsulfanilamide4-amino-N-[4-(aminosulfonyl)phenyl]benzenesulfonamideHKA2A1D99JCHEMBL269122MFCD02575824F3146-4861SMR000011065
Show more names
disulondiseptal CN-(4-Sulfamoylphenyl)-4-aminobenzenesulfonamide4-(4-Aminophenylsulfonylamino)benzenesulfonamide4-[(4-Aminophenyl)sulfonylamino]benzenesulfonamide4-[[(4-Aminophenyl)sulfonyl]amino]benzenesulfonamideN-[4-(Aminosulfonyl)phenyl]-4-aminobenzenesulfonamideBenzenesulfonamide, 4-amino-N-[4-(aminosulfonyl)phenyl]-
UNII-HKA2A1D99Jstarbld0007900n4-sulphanilylsulphanilamideN(4)-SulfanilylsulfanilamideN4-SULFANILYLANILAMIDEcid_68351MLS000071853MLS002535184
Database identifiers
- CAS
547-52-4- PubChem CID
- 68351
- DTXSID
DTXSID40871756- ChEMBL
CHEMBL269122- UNII
- HKA2A1D99J
- EC Number
- 109-702-2
- Nikkaji
- J166.101I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 534
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
LogP0.35
Physicochemical properties
- Melting point
- 133 · 133-134°
- Boiling point
- 594.4 · 594.4±60.0 °C(Predicted)
- Density
- 1.4541 · 1.4541 (rough estimate)
- refractive index
- 1.639 · 1.6390 (estimate)
- pka
- 3.2 · pKa 3.20(H2O t = 25 I = 0.05) (Uncertain);8.23(H2O t = 25 I = 0.05) (Uncertain)
- FDA UNII
- 2 A1D99J · HKA2A1D99J
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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