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Bis(2-Aminophenyl) Disulfide
CAS: 1141-88-4 | C12H12N2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1141-88-4
Molecular Formula:
C12H12N2S2
Molecular Mass:
248.38 g/mol
Names and Synonyms:
Bis(2-Aminophenyl) Disulfide
Benzenamine, 2,2′-dithiobis-
Aniline, 2,2′-dithiodi-
2,2′-Dithiobis[benzenamine]
Bis(o-aminophenyl) disulfide
Intramine
2,2′-Dithiodianiline
Disulfide, bis(2-aminophenyl)
2,2′-Diaminodiphenyl disulfide
Bis(2-aminophenyl) disulfide
o,o′-Diaminodiphenyl disulfide
2,2′-Dithiobis[aniline]
NSC 8186
Di(2-aminophenyl) disulfide
1,1′-Dithiobis(2-aminobenzene)
Di(o-aminophenyl) disulfide
NSC 54509
NSC 677450
D 1246
2,2′-Disulfidediyldianiline
Thulium ionophore I
2,2′-Disulfanediyldianiline
[2-[(2-Aminophenyl)dithio]phenyl]amine
2,2′-Dianilino disulfide
2-[(2-Aminophenyl)disulfanyl]aniline
Identifiers:
SMILES:
Nc1ccccc1SSc1ccccc1N
InChI:
InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2
Key Properties
Melting Point
89-91 °C
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 | 248.38 g/mol | CAS Common Chemistry |
| 248.376 g/mol | RDKit | |
| 248.044190384 g/mol | RDKit | |
| Canonical SMILES | S(SC=1C=CC=CC1N)C=2C=CC=CC2N | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YYYOQURZQWIILK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89-91 °C | CAS Common Chemistry |
| Name | Bis(2-aminophenyl) disulfide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 3.650400000000002 | RDKit |
| Molar Refractivity | 73.42280000000001 | RDKit |
