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N-2-Thienylacetamide
CAS: 13053-81-1 | C6H7NOS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13053-81-1
Molecular Formula:
C6H7NOS
Molecular Weight:
141.19499999999996 g/mol
Names and Synonyms:
N-2-Thienylacetamide
2-Acetamidothiophene
2-(Acetylamino)thiophene
N-2-Thienylacetamide
Thiophene, 2-acetamido-
Acetamide, N-2-thienyl-
Identifiers:
SMILES:
CC(O)=Nc1cccs1
InChI:
InChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)
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 |
|---|
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 141.20 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC=1SC=CC1)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=FSATURPVOMZWBY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 154-157 °C None | Legacy Database |
| cas-name | N-2-Thienylacetamide None | Legacy Database |
| LogP | 2.3560000000000008 | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.024834844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.59 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.71680000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.19499999999996 g/mol | RDKit |
