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Molecule
1-Hydrazinyl-3-(Methylthio)-2-Propanol
CAS: 14359-97-8 · C4H12N2OS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14359-97-8
- Molecular Formula
- C4H12N2OS
- Molecular Mass
- 136.22 g/mol
Identifiers
CAS Registry Number
14359-97-8
SMILES
CSCC(O)CNN
InChI Key
UQVUGWOKYIMFCM-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2OS/c1-8-3-4(7)2-6-5/h4,6-7H,2-3,5H2,1H3
Names and Synonyms
- 1-Hydrazinyl-3-(Methylthio)-2-Propanol Systematic Name
- 1-Hydrazinyl-3-(methylthio)-2-propanol Synonym
- 2-Propanol, 1-hydrazinyl-3-(methylthio)- Synonym
- 2-Propanol, 1-hydrazino-3-(methylthio)- Synonym
- [2-Hydroxy-3-(methylsulfanyl)propyl]hydrazine Synonym
- 1-Hydrazino-3-(methylthio)propan-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.22 g/mol | CAS Common Chemistry |
| 136.21999999999997 g/mol | RDKit | |
| 136.213 g/mol | chempirical lib | |
| 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 |
| -0.8264 | RDKit | |
| Molar Refractivity | 36.57889999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 136.067034004 g/mol | RDKit |
| Boiling Point | 128-130 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 136.22 g/mol. Edit any field — others recompute live.
