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Thiirane
CAS: 420-12-2 | C2H4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
420-12-2
Molecular Formula:
C2H4S
Molecular Mass:
60.12 g/mol
Names and Synonyms:
Thiirane
Thiirane
Ethylene sulfide
Thiacyclopropane
Thiirene, 2,3-dihydro-
Ethylene episulfide
NSC 89690
Identifiers:
SMILES:
C1CS1
InChI:
InChI=1S/C2H4S/c1-2-3-1/h1-2H2
Key Properties
Boiling Point
55-56 °C
CAS Common Chemistry
Melting Point
203-208 °C
CAS Common Chemistry
Density
1.04 g/cm³
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 | 60.12 g/mol | CAS Common Chemistry |
| 60.120999999999995 g/mol | RDKit | |
| 60.003371128 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0368 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thiirane | CAS Common Chemistry |
| Boiling Point | 55-56 °C | CAS Common Chemistry |
| Canonical SMILES | S1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H4S/c1-2-3-1/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VOVUARRWDCVURC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 203-208 °C | CAS Common Chemistry |
| Name | Thiirane | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.7332000000000001 | RDKit |
| Molar Refractivity | 17.325 | RDKit |
