3-Ethyl-2-methyl-6-nitro-2,3-dihydro-1,3-benzothiazole
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Basic information
- CAS
695810-73-2- Standard SMILES
CCN1c2ccc([N+](=O)[O-])cc2SC1C- InChIKey
RFPBGURQGUTKSW-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2S
- Average molar mass
- 224.28 g/mol
Names & identifiers
- Preferred name
- 3-Ethyl-2-methyl-6-nitro-2,3-dihydro-1,3-benzothiazole
- IUPAC
- 3-ethyl-2-methyl-6-nitro-2H-1,3-benzothiazole
- English name
- Benzothiazole, 3-ethyl-2,3-dihydro-2-methyl-6-nitro- (9CI)
- Molecular formula
- C10H12N2O2S
- Molecular weight
- 224.28
Names & synonyms
695810-73-23-Ethyl-2-methyl-6-nitro-2,3-dihydro-1,3-benzothiazoleDB-285906BENZOTHIAZOLE, 3-ETHYL-2,3-DIHYDRO-2-METHYL-6-NITRO-Benzothiazole, 3-ethyl-2,3-dihydro-2-methyl-6-nitro- (9CI)
Database identifiers
- CAS
695810-73-2
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 358.8 · 358.8±42.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- -0.17 · -0.17±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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