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1-Hydrazinyl-3-(Methylthio)-2-Propanol
CAS: 14359-97-8 | C4H12N2OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14359-97-8
Molecular Formula:
C4H12N2OS
Molecular Mass:
136.22 g/mol
Names and Synonyms:
1-Hydrazinyl-3-(Methylthio)-2-Propanol
1-Hydrazinyl-3-(methylthio)-2-propanol
2-Propanol, 1-hydrazinyl-3-(methylthio)-
2-Propanol, 1-hydrazino-3-(methylthio)-
[2-Hydroxy-3-(methylsulfanyl)propyl]hydrazine
1-Hydrazino-3-(methylthio)propan-2-ol
Identifiers:
SMILES:
CSCC(O)CNN
InChI:
InChI=1S/C4H12N2OS/c1-8-3-4(7)2-6-5/h4,6-7H,2-3,5H2,1H3
Key Properties
Boiling Point
128-130 °C @ Press: 1 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 | 136.22 g/mol | CAS Common Chemistry |
| 136.21999999999997 g/mol | RDKit | |
| 136.067034004 g/mol | RDKit | |
| Boiling Point | 128-130 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | OC(CSC)CNN | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N2OS/c1-8-3-4(7)2-6-5/h4,6-7H,2-3,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UQVUGWOKYIMFCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Hydrazinyl-3-(methylthio)-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.28 Ų | RDKit |
| LogP | -0.8263999999999998 | RDKit |
| Molar Refractivity | 36.57889999999999 | RDKit |
