Back to Search
1,3-Dimethyl-2-Imidazolidinethione
CAS: 13461-16-0 | C5H10N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13461-16-0
Molecular Formula:
C5H10N2S
Molecular Weight:
130.21599999999998 g/mol
Names and Synonyms:
1,3-Dimethyl-2-Imidazolidinethione
2-Imidazolidinethione, 1,3-dimethyl-
1,3-Dimethyl-2-imidazolidinethione
N,N′-Dimethylethylenethiourea
1,3-Dimethylimidazoline-2(3H)-thione
1,3-Dimethyl-1,3-diazolidine-2-thione
N,N′-Dimethylimidazolidine-2-thione
Identifiers:
SMILES:
CN1CCN(C)C1=S
InChI:
InChI=1S/C5H10N2S/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 130.22 g/mol | Legacy Database |
| cas-canonical-smile | S=C1N(C)CCN1C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N2S/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FYHIXFCITOCVKH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 110-112 °C @ Solvent: Water None | Legacy Database |
| cas-name | 1,3-Dimethyl-2-imidazolidinethione None | Legacy Database |
| LogP | 0.14849999999999985 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.21599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.05646932 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.85800000000001 | RDKit |
