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Dapsone
CAS: 80-08-0 | C12H12N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-08-0
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.30700000000002 g/mol
Names and Synonyms:
Dapsone
Common Name
1358F
Synonym
44DDS
Synonym
K 10
Synonym
Aradur 9664-1NL
Synonym
D 0089
Synonym
Aradur 976
Synonym
HEW 62
Synonym
4,4′-Diaminobiphenyl sulfone
Synonym
Aradur 9761-1
Synonym
4-(4-Aminophenyl)sulfonylaniline
Synonym
4-(4-Aminophenylsulfonyl)benzenamine
Synonym
Aradur 9664-1
Synonym
Aczone
Synonym
Lapox K 10
Synonym
HB-MC-GE 45
Synonym
HB-MC-GE 40
Synonym
DADFS
Synonym
4,4′-Sulfonyldiphenylamine
Synonym
4,4′-DDS
Synonym
Servidapson
Synonym
HT 976-1
Synonym
Aradur 976-1
Synonym
HY 976
Synonym
NSC 6091
Synonym
Seikacure S
Synonym
HT 9664
Synonym
4,4′-Dapsone
Synonym
Hardener HT 976
Synonym
Sumicure S
Synonym
Araldite HT 976
Synonym
HT 976
Synonym
4,4′-Sulfonylbisaniline
Synonym
Dapson
Synonym
Diaphenylsulfon
Synonym
p-Aminophenyl sulfone
Synonym
Sulfona
Synonym
1,1′-Sulfonylbis[4-aminobenzene]
Synonym
4,4′-Sulfonylbisbenzamine
Synonym
4-Aminophenyl sulfone
Synonym
Bis(p-aminophenyl) sulfone
Synonym
DDS (pharmaceutical)
Synonym
Udolac
Synonym
4,4′-Sulphonyldianiline
Synonym
Sulphadione
Synonym
4,4′-Sulfonyldianiline
Synonym
p,p′-Sulfonyldianiline
Synonym
Sulfona-Mae
Synonym
Novophone
Synonym
Metabolite C
Synonym
Eporal
Synonym
Dumitone
Synonym
DSS
Synonym
Disulone
Synonym
Diphone
Synonym
Diphenasone
Synonym
Di(4-aminophenyl)sulfone
Synonym
Diaphenylsulfone
Synonym
Di(p-aminophenyl) sulfone
Synonym
4,4′-Diaminodiphenyl sulfone
Synonym
p,p′-Diaminodiphenyl sulfone
Synonym
DDS
Synonym
Dapsone
Synonym
DADPS
Synonym
Croysulfone
Synonym
Bis(4-aminophenyl) sulfone
Synonym
Avlosulfone
Synonym
Avlosulfon
Synonym
F 1358
Synonym
4,4′-Sulfonylbis[benzenamine]
Synonym
Aniline, 4,4′-sulfonyldi-
Synonym
Benzenamine, 4,4′-sulfonylbis-
Synonym
Atrisone
Synonym
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChI:
InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 248.31 g/mol | Legacy Database |
| density | 1.39 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(=O)(C1=CC=C(N)C=C1)C2=CC=C(N)C=C2 None | Legacy Database |
| cas-density | 1.392 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MQJKPEGWNLWLTK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 175-176 °C None | Legacy Database |
| cas-name | Dapsone None | Legacy Database |
| LogP | 1.6838000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 248.30700000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 248.061948624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 86.18 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 67.16060000000002 | RDKit |