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2-(Acetylamino)-5-Nitrothiazole
CAS: 140-40-9 | C5H5N3O3S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
140-40-9
Molecular Formula:
C5H5N3O3S
Molecular Mass:
187.18 g/mol
Names and Synonyms:
2-(Acetylamino)-5-Nitrothiazole
Enheptin A
Acetamide, N-(5-nitro-2-thiazolyl)-
Thiazole, 2-acetamido-5-nitro-
N-(5-Nitro-2-thiazolyl)acetamide
2-Acetamido-5-nitrothiazole
Acetyl enheptin
Acinitrazole
Aminitrozole
Pleocide
Trichlorad
Trichorad
Trichoral
Tricolaval
Tritheon
Lavoflagin
2-(Acetylamino)-5-nitrothiazole
5-Nitro-2-acetamidothiazole
Gynofon
Cyzine Premix
Nitazol
Trichocid
Acinitrazol
Trikolaval
Tricosteril
Ametoterina
Aminitrozol
Tricogen
Trichoman
Tricoral
Nithiamide
Nitazole
CL 5279
NSC 31539
NSC 45914
N-(5-Nitro-1,3-thiazol-2-yl)acetamide
Identifiers:
SMILES:
CC(O)=Nc1ncc([N+](=O)[O-])s1
InChI:
InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)
Key Properties
Melting Point
264.5 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.18 g/mol | CAS Common Chemistry |
| 187.00516202 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=NC=C(S1)N(=O)=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9) | CAS Common Chemistry |
| InChI Key | InChIKey=UJRRDDHEMZLWFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 264.5 °C | CAS Common Chemistry |
| Name | 2-(Acetylamino)-5-nitrothiazole | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 88.62 Ų | RDKit |
| LogP | 1.6592 | RDKit |
| Molar Refractivity | 44.16620000000001 | RDKit |
