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3-Chloro-4-Methyl-2-Thiophenecarboxylic Acid Hydrazide
CAS: 175137-12-9 | C6H7ClN2OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
175137-12-9
Molecular Formula:
C6H7ClN2OS
Molecular Mass:
190.66 g/mol
Names and Synonyms:
3-Chloro-4-Methyl-2-Thiophenecarboxylic Acid Hydrazide
2-Thiophenecarboxylic acid, 3-chloro-4-methyl-, hydrazide
3-Chloro-4-methyl-2-thiophenecarboxylic acid hydrazide
3-Chloro-4-methylthiophene-2-carbohydrazide
Identifiers:
SMILES:
Cc1csc(C(O)=NN)c1Cl
InChI:
InChI=1S/C6H7ClN2OS/c1-3-2-11-5(4(3)7)6(10)9-8/h2H,8H2,1H3,(H,9,10)
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 |
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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 | 190.66 g/mol | CAS Common Chemistry |
| 190.65499999999997 g/mol | RDKit | |
| 189.996761524 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1SC=C(C1Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7ClN2OS/c1-3-2-11-5(4(3)7)6(10)9-8/h2H,8H2,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=COSDURBTTAEVMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Chloro-4-methyl-2-thiophenecarboxylic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.8882200000000002 | RDKit |
| Molar Refractivity | 47.419200000000004 | RDKit |
