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Amobam
CAS: 3566-10-7 | C4H14N4S4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3566-10-7
Molecular Formula:
C4H14N4S4
Molecular Mass:
246.45 g/mol
Names and Synonyms:
Amobam
Carbamodithioic acid, N,N′-1,2-ethanediylbis-, ammonium salt (1:2)
Carbamic acid, ethylenebis[dithio-, diammonium salt
Carbamodithioic acid, 1,2-ethanediylbis-, diammonium salt
Amobam
Ammonium ethylenebis(dithiocarbamate)
Diammonium ethylenebis[dithiocarbamate]
Dithane stainless
Ambis
Ethylene-1,2-bis(ammonium dithiocarbamate)
Ammonium 1,2-ethanebis(dithiocarbamate)
Ambam
Identifiers:
SMILES:
N.N.SC(S)=NCCN=C(S)S
InChI:
InChI=1S/C4H8N2S4.2H3N/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1H3
Key Properties
Melting Point
185 °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 | 246.45 g/mol | CAS Common Chemistry |
| 246.452 g/mol | RDKit | |
| 246.01013044799998 g/mol | RDKit | |
| Canonical SMILES | S=C(S)NCCNC(=S)S.N | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2S4.2H3N/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FROZIYRKKUFAOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Amobam | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.72 Ų | RDKit |
| LogP | 1.7416 | RDKit |
| Molar Refractivity | 70.59219999999999 | RDKit |
