2-(3-Ethyl-2-oxiranyl)-2-methyl-2,3-dihydro-1,3-benzothiazole
Basic information
- CAS
736868-58-9- Standard SMILES
CCC1OC1C1(C)Nc2ccccc2S1- InChIKey
DWJHEKKLHXKXTG-UHFFFAOYSA-N- Molecular formula
- C12H15NOS
- Average molar mass
- 221.32 g/mol
Names & identifiers
- Preferred name
- 2-(3-Ethyl-2-oxiranyl)-2-methyl-2,3-dihydro-1,3-benzothiazole
- IUPAC
- 2-(3-ethyloxiran-2-yl)-2-methyl-3H-1,3-benzothiazole
- English name
- Benzothiazole, 2-(3-ethyloxiranyl)-2,3-dihydro-2-methyl- (9CI)
- Molecular formula
- C12H15NOS
- Molecular weight
- 221.3186
Names & synonyms
736868-58-92-(3-Ethyl-2-oxiranyl)-2-methyl-2,3-dihydro-1,3-benzothiazoleDB-285788BENZOTHIAZOLE, 2-(3-ETHYLOXIRANYL)-2,3-DIHYDRO-2-METHYL-Benzothiazole, 2-(3-ethyloxiranyl)-2,3-dihydro-2-methyl- (9CI)
Database identifiers
- CAS
736868-58-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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