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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
1358F
44DDS
K 10
Aradur 9664-1NL
D 0089
Aradur 976
HEW 62
4,4′-Diaminobiphenyl sulfone
Aradur 9761-1
4-(4-Aminophenyl)sulfonylaniline
4-(4-Aminophenylsulfonyl)benzenamine
Aradur 9664-1
Aczone
Lapox K 10
HB-MC-GE 45
HB-MC-GE 40
DADFS
4,4′-Sulfonyldiphenylamine
4,4′-DDS
Servidapson
HT 976-1
Aradur 976-1
HY 976
NSC 6091
Seikacure S
HT 9664
4,4′-Dapsone
Hardener HT 976
Sumicure S
Araldite HT 976
HT 976
4,4′-Sulfonylbisaniline
Dapson
Diaphenylsulfon
p-Aminophenyl sulfone
Sulfona
1,1′-Sulfonylbis[4-aminobenzene]
4,4′-Sulfonylbisbenzamine
4-Aminophenyl sulfone
Bis(p-aminophenyl) sulfone
DDS (pharmaceutical)
Udolac
4,4′-Sulphonyldianiline
Sulphadione
4,4′-Sulfonyldianiline
p,p′-Sulfonyldianiline
Sulfona-Mae
Novophone
Metabolite C
Eporal
Dumitone
DSS
Disulone
Diphone
Diphenasone
Di(4-aminophenyl)sulfone
Diaphenylsulfone
Di(p-aminophenyl) sulfone
4,4′-Diaminodiphenyl sulfone
p,p′-Diaminodiphenyl sulfone
DDS
Dapsone
DADPS
Croysulfone
Bis(4-aminophenyl) sulfone
Avlosulfone
Avlosulfon
F 1358
4,4′-Sulfonylbis[benzenamine]
Aniline, 4,4′-sulfonyldi-
Benzenamine, 4,4′-sulfonylbis-
Atrisone
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.6838000000000002 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 67.16060000000002 | RDKit |
