2-Methyl-4-(5-nitro-2-furyl)thiazole
Basic information
- CAS
53757-29-2- Standard SMILES
Cc1nc(-c2ccc([N+](=O)[O-])o2)cs1- InChIKey
BGWAGUMLJYQZDM-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3S
- Average molar mass
- 210.21 g/mol
- Monoisotopic mass
- 210.00991323
Names & identifiers
- Preferred name
- 2-Methyl-4-(5-nitro-2-furyl)thiazole
- IUPAC
- 2-methyl-4-(5-nitrofuran-2-yl)-1,3-thiazole
- English name
- 2-METHYL-4-(5-NITRO-2-FURYL)THIAZOLE
- Molecular formula
- C8H6N2O3S
- Molecular weight
- 210.21
Names & synonyms
2-Methyl-4-(5-nitro-2-furyl)thiazole53757-29-2DTXSID90202031RefChem:88123DTXCID901245222-methyl-4-(5-nitrofuran-2-yl)-1,3-thiazole2-Methyl-4-(5-nitro-2-furanyl)thiazoleCCRIS 1142BRN 1077089Thiazole, 2-methyl-4-(5-nitro-2-furanyl)-THIAZOLE, 2-METHYL-4-(5-NITRO-2-FURYL)-DB-303520
Database identifiers
- CAS
53757-29-2- PubChem CID
- 40859
- DTXSID
DTXSID90202031- Nikkaji
- J1.062F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 141 · 141-142 °C
- Boiling point
- 348.8 · 348.8±32.0 °C(Predicted)
- Density
- 1.4809 · 1.4809 (rough estimate)
- refractive index
- 1.569 · 1.5690 (estimate)
- pka
- 1.82 · 1.82±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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