7-[(2,1,3-Benzothiadiazol-4-ylmethyl)thio]-8H-imidazo[4,5-e]-2,1,3-benzothiadiazole
Basic information
- CAS
330983-01-2- Standard SMILES
c1cc(CSc2nc3ccc4[nH]snc4c3n2)c2nsnc2c1- InChIKey
UMMREDNUMSWRLI-UHFFFAOYSA-N- Molecular formula
- C14H8N6S3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 355.9972578
Names & identifiers
- Preferred name
- 7-[(2,1,3-Benzothiadiazol-4-ylmethyl)thio]-8H-imidazo[4,5-e]-2,1,3-benzothiadiazole
- IUPAC
- 7-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)-3H-imidazo[4,5-e][2,1,3]benzothiadiazole
Names & synonyms
Oprea1_111636Oprea1_777225DTXSID001129500AKOS0243666417-[(2,1,3-Benzothiadiazol-4-ylmethyl)thio]-8H-imidazo[4,5-e]-2,1,3-benzothiadiazole330983-01-2ST51000295AG-690/360080057-(benzo[2,3-c]1,2,5-thiadiazol-4-ylmethylthio)-1,2,5-thiadiazolo[3,4-g]benzim idazole7-[(2,1,3-benzothiadiazol-4-ylmethyl)sulfanyl]-8H-imidazo[4,5-e][2,1,3]benzothiadiazole7-{[(2,1,3-Benzothiadiazol-4-yl)methyl]sulfanyl}-8H-imidazo[4,5-e][2,1,3]benzothiadiazole
Database identifiers
- CAS
330983-01-2- PubChem CID
- 3099486
- DTXSID
DTXSID001129500
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 695
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Compound notes
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