Back to Search
3,3′-Dithiobis[Propanoic Acid] 1,1′-Dihydrazide
CAS: 50906-77-9 | C6H14N4O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50906-77-9
Molecular Formula:
C6H14N4O2S2
Molecular Mass:
238.34 g/mol
Names and Synonyms:
3,3′-Dithiobis[Propanoic Acid] 1,1′-Dihydrazide
Propanoic acid, 3,3′-dithiobis-, 1,1′-dihydrazide
Propanoic acid, 3,3′-dithiobis-, dihydrazide
3,3′-Dithiobis[propanoic acid] 1,1′-dihydrazide
Dithiodipropionic acid dihydrazide
3,3′-Dithiobis(propanoic dihydrazide)
3,3′-Dithiobis(propionic hydrazide)
3,3′-Dithiodipropionic acid dihydrazide
Dithiopropionate dihydrazide
Identifiers:
SMILES:
NN=C(O)CCSSCCC(O)=NN
InChI:
InChI=1S/C6H14N4O2S2/c7-9-5(11)1-3-13-14-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
Key Properties
Melting Point
128 °C @ Solvent: Ethanol
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 | 238.34 g/mol | CAS Common Chemistry |
| 238.338 g/mol | RDKit | |
| 238.055817688 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CCSSCCC(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N4O2S2/c7-9-5(11)1-3-13-14-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=GYQOUZKNOIHPOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 3,3′-Dithiobis[propanoic acid] 1,1′-dihydrazide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.22 Ų | RDKit |
| LogP | 0.8083999999999998 | RDKit |
| Molar Refractivity | 62.6524 | RDKit |
