1-(Benzo[c][1,2,5]thiadiazol-5-yl)propan-1-one
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Basic information
- Standard SMILES
CCC(=O)c1ccc2nsnc2c1- InChIKey
NXSVNOJDCICXGT-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- 1-(Benzo[c][1,2,5]thiadiazol-5-yl)propan-1-one
- IUPAC
- 1-(2,1,3-benzothiadiazol-5-yl)propan-1-one
Names & synonyms
SCHEMBL15069589NXSVNOJDCICXGT-UHFFFAOYSA-N1-(benzo[c][1,2,5]thiadiazol-5-yl)propan-1-one
Database identifiers
- PubChem CID
- 89657553
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
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Related reactions
2 records
Compound notes
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