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Ethylene Thiourea
CAS: 96-45-7 | C3H6N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-45-7
Molecular Formula:
C3H6N2S
Molecular Mass:
102.16 g/mol
Names and Synonyms:
Ethylene Thiourea
2-Imidazolidinethione
Imidazoline-2-thiol
Ethylenethiourea
N,N′-Ethylenethiourea
Warecure C
Thiourea, N,N′-1,2-ethanediyl-
NA 22
Tetrahydro-2H-imidazole-2-thione
Imidazoline-2(3H)-thione
2-Mercaptoimidazoline
Imidazolidinethione
Mercaptoimidazoline
2-Mercapto-2-imidazoline
2-Imidazoline-2-thiol
4,5-Dihydro-2-mercaptoimidazole
Rhodanin S 62
1,3-Ethylenethiourea
Pennac CRA
ETU
Mercazin I
Rhenogran ETU
Vulkacit NPV/C
Soxinol 22
Nocceler 22
2-Thioimidazolidine
Accel 22
Accel 22S
Sanceler 22
Sanceler 22C
2-Mercapto-4,5-dihydroimidazole
Ethylenethiocarbamide
ETC
END 75
Sanceler 22S
ETU 22S
ETU 80
Rhenogran ETU 80
TU 2
Sanmix 22-80E
Rhenogran ETU 75
ETU 75
Accelerator ETU
Accelerator NA 22
Identifiers:
SMILES:
SC1=NCCN1
InChI:
InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
Key Properties
Boiling Point
347.18 °C
CAS Common Chemistry
Melting Point
199-204 °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 | 102.16 g/mol | CAS Common Chemistry |
| 102.162 g/mol | RDKit | |
| 102.02516919199999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylene_thiourea | CAS Common Chemistry |
| Boiling Point | 347.18 °C | CAS Common Chemistry |
| Canonical SMILES | S=C1NCCN1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=PDQAZBWRQCGBEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199-204 °C | CAS Common Chemistry |
| Name | Ethylenethiourea | CAS Common Chemistry |
| Ethylene thiourea | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | -0.12459999999999999 | RDKit |
| Molar Refractivity | 29.290699999999994 | RDKit |
