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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 Mass:
248.31 g/mol
Names and Synonyms:
Dapsone
Atrisone
Benzenamine, 4,4′-sulfonylbis-
Aniline, 4,4′-sulfonyldi-
4,4′-Sulfonylbis[benzenamine]
1358F
F 1358
Avlosulfon
Avlosulfone
Bis(4-aminophenyl) sulfone
Croysulfone
DADPS
Dapsone
DDS
p,p′-Diaminodiphenyl sulfone
4,4′-Diaminodiphenyl sulfone
Di(p-aminophenyl) sulfone
Diaphenylsulfone
Di(4-aminophenyl)sulfone
Diphenasone
Diphone
Disulone
DSS
Dumitone
Eporal
Metabolite C
Novophone
Sulfona-Mae
p,p′-Sulfonyldianiline
4,4′-Sulfonyldianiline
Sulphadione
4,4′-Sulphonyldianiline
Udolac
DDS (pharmaceutical)
Bis(p-aminophenyl) sulfone
4-Aminophenyl sulfone
4,4′-Sulfonylbisbenzamine
1,1′-Sulfonylbis[4-aminobenzene]
Sulfona
p-Aminophenyl sulfone
Diaphenylsulfon
Dapson
4,4′-Sulfonylbisaniline
HT 976
Araldite HT 976
Sumicure S
Hardener HT 976
4,4′-Dapsone
HT 9664
Seikacure S
NSC 6091
HY 976
Aradur 976-1
HT 976-1
Servidapson
4,4′-DDS
4,4′-Sulfonyldiphenylamine
DADFS
HB-MC-GE 40
HB-MC-GE 45
Lapox K 10
Aczone
Aradur 9664-1
4-(4-Aminophenylsulfonyl)benzenamine
4-(4-Aminophenyl)sulfonylaniline
Aradur 9761-1
4,4′-Diaminobiphenyl sulfone
HEW 62
Aradur 976
D 0089
Aradur 9664-1NL
K 10
44DDS
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
Key Properties
Melting Point
175-176 °C
CAS Common Chemistry
Density
1.39 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.31 g/mol | CAS Common Chemistry |
| 248.30700000000002 g/mol | RDKit | |
| 248.061948624 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.392 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(C1=CC=C(N)C=C1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=MQJKPEGWNLWLTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175-176 °C | CAS Common Chemistry |
| Name | Dapsone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | 1.6838000000000002 | RDKit |
| Molar Refractivity | 67.16060000000002 | RDKit |
