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(R)-2-Methylpropane-2-Sulfinamide
CAS: 196929-78-9 | C4H11NOS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
196929-78-9
Molecular Formula:
C4H11NOS
Molecular Mass:
121.21 g/mol
Names and Synonyms:
(R)-2-Methylpropane-2-Sulfinamide
2-Propanesulfinamide, 2-methyl-, [S(R)]-
2-Propanesulfinamide, 2-methyl-, (R)-
[S(R)]-2-Methyl-2-propanesulfinamide
(R)-tert-Butanesulfinamide
(R)-(+)-2-Methyl-2-propanesulfinamide
(R)-tert-Butylsulfinamide
(R)-2-Methyl-2-propanesulfinamide
(R)-(+)-tert-Butanesulfinamide
(R)-(+)-tert-Butylsulfinamide
(R)-2-Methylpropane-2-sulfinamide
(R)-(+)-2-Methyl-2-propanesulfinamide
(R)-2-Methylpropan-2-sulfinamide
(R)-tert-Butylsulfinamide
(R)-(+)-tert-Butylsulfinamide
(R)-tert-Butanesulfinamide
(R)-t-Butyl sulfinamide
Identifiers:
SMILES:
CC(C)(C)[S@](N)=O
InChI:
InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m1/s1
Key Properties
Melting Point
101-102 °C @ Solvent: Hexane
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 121.21 g/mol | CAS Common Chemistry |
| 121.205 g/mol | RDKit | |
| 121.056134972 g/mol | RDKit | |
| Canonical SMILES | O=S(N)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CESUXLKAADQNTB-SSDOTTSWSA-N | CAS Common Chemistry |
| Melting Point | 101-102 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | (R)-2-Methylpropane-2-sulfinamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.09 Ų | RDKit |
| LogP | 0.4073000000000001 | RDKit |
| Molar Refractivity | 32.08279999999999 | RDKit |
