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Molecule
Thiophene-2-Carbohydrazide
CAS: 2361-27-5 · C5H6N2OS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2361-27-5
- Molecular Formula
- C5H6N2OS
- Molecular Mass
- 142.18 g/mol
Identifiers
CAS Registry Number
2361-27-5
SMILES
NNC(=O)c1cccs1
InChI Key
SOGBOGBTIKMGFS-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
Names and Synonyms
- Thiophene-2-Carbohydrazide Synonym
- 2-Thiophenecarboxylic acid, hydrazide Synonym
- 2-Thiophenecarbohydrazonic acid Synonym
- 2-Thienylcarboxylic acid hydrazide Synonym
- 2-Thenoylhydrazine Synonym
- 2-Thienoylhydrazine Synonym
- Thiophene-2-carbohydrazide Synonym
- 2-Thiophenecarbonyl hydrazide Synonym
- NSC 653 Synonym
- 2-Thiophenecarboxylic hydrazide Synonym
- 2-Thienyl hydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.18 g/mol | CAS Common Chemistry |
| 142.18299999999996 g/mol | RDKit | |
| 142.183 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1SC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=SOGBOGBTIKMGFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141-142 °C | CAS Common Chemistry |
| Name | Thiophene-2-carbohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.12 Ų | RDKit |
| LogP | 0.35159999999999975 | RDKit |
| 0.3516 | RDKit | |
| Molar Refractivity | 35.972600000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 142.020083812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 142.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6N2OS.
