Back to Search
Nifuratel
CAS: 4936-47-4 | C10H11N3O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4936-47-4
Molecular Formula:
C10H11N3O5S
Molecular Mass:
285.28 g/mol
Names and Synonyms:
Nifuratel
2-Oxazolidinone, 5-[(methylthio)methyl]-3-[[(5-nitro-2-furanyl)methylene]amino]-
2-Oxazolidinone, 5-[(methylthio)methyl]-3-[(5-nitrofurfurylidene)amino]-
5-[(Methylthio)methyl]-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone
Macmiror
Magmilor
Methylmercadone
5-[(Methylthio)methyl]-3-[(5-nitrofurfurylidene)amino]-2-oxazolidinone
Nifuratel
3-[(5-Nitro-2-furfurylidene)amino]-5-[(methylthio)methyl]-2-oxazolidinone
Polmiror
5-(Methylmercaptomethyl)-3-(5-nitro-2-furfurylidenamino)-2-oxazolidinone
Omnes
Tydantil
5-(Methylthiomethyl)-3-(5-nitro-2-furfurylidenamino)oxazolidin-2-one
NF 113
SAP 113
Inimur
Identifiers:
SMILES:
CSCC1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)O1
InChI:
InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3
Key Properties
Melting Point
182 °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 | 285.28 g/mol | CAS Common Chemistry |
| 285.28100000000006 g/mol | RDKit | |
| 285.041941452 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CSC)CN1N=CC=2OC(=CC2)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SRQKTCXJCCHINN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182 °C | CAS Common Chemistry |
| Name | Nifuratel | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 98.17999999999999 Ų | RDKit |
| LogP | 1.7055 | RDKit |
| Molar Refractivity | 68.31340000000002 | RDKit |
