Back to Search
Molecule
Amobam
CAS: 3566-10-7 · C4H14N4S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3566-10-7
- Molecular Formula
- C4H14N4S4
- Molecular Mass
- 246.45 g/mol
Identifiers
CAS Registry Number
3566-10-7
SMILES
N.N.SC(S)=NCCN=C(S)S
InChI Key
FROZIYRKKUFAOC-UHFFFAOYSA-N
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
Names and Synonyms
- Amobam Common Name
- Carbamodithioic acid, N,N′-1,2-ethanediylbis-, ammonium salt (1:2) Synonym
- Carbamic acid, ethylenebis[dithio-, diammonium salt Synonym
- Carbamodithioic acid, 1,2-ethanediylbis-, diammonium salt Synonym
- Amobam Synonym
- Ammonium ethylenebis(dithiocarbamate) Synonym
- Diammonium ethylenebis[dithiocarbamate] Synonym
- Dithane stainless Synonym
- Ambis Synonym
- Ethylene-1,2-bis(ammonium dithiocarbamate) Synonym
- Ammonium 1,2-ethanebis(dithiocarbamate) Synonym
- Ambam Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.45 g/mol | CAS Common Chemistry |
| 246.452 g/mol | RDKit | |
| 246.424 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 246.01013044799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 246.45 g/mol. Edit any field — others recompute live.
