2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone
Basic information
- CAS
337488-10-5- Standard SMILES
O=C(CSc1nc2ccccc2s1)C1CC1- InChIKey
REJPVPZBYINWPC-UHFFFAOYSA-N- Molecular formula
- C12H11NOS2
- Average molar mass
- 249.4 g/mol
- Monoisotopic mass
- 249.02820632
Names & identifiers
- Preferred name
- 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-1-cyclopropylethanone
Names & synonyms
337488-10-52-(1,3-BENZOTHIAZOL-2-YLTHIO)-1-CYCLOPROPYLETHANONE2-(1,3-benzothiazol-2-ylsulfanyl)-1-cyclopropylethanone2-(Benzo[d]thiazol-2-ylthio)-1-cyclopropylethanone2-(1,3-benzothiazol-2-ylsulfanyl)-1-cyclopropylethan-1-one2-benzothiazol-2-ylthio-1-cyclopropylethan-1-oneDTXSID60354238MFCD01574365AKOS003257023ST0824902-(1,3-benzothiazol-2-ylsulfanyl)-1-cyclopropyl-ethanone2-[(1,3-Benzothiazol-2-yl)sulfanyl]-1-cyclopropylethan-1-one
Database identifiers
- CAS
337488-10-5- PubChem CID
- 767192
- DTXSID
DTXSID60354238
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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