6-(5-(Methylsulfonyl)-1,3,4-thiadiazol-2-yl)benzo[d]isothiazole
Basic information
- Standard SMILES
CS(=O)(=O)c1nnc(-c2ccc3cnsc3c2)s1- InChIKey
LUJBITDQRIUZRG-UHFFFAOYSA-N- Molecular formula
- C10H7N3O2S3
- Average molar mass
- 297.4 g/mol
Names & identifiers
- Preferred name
- 6-(5-(Methylsulfonyl)-1,3,4-thiadiazol-2-yl)benzo[d]isothiazole
- IUPAC
- 6-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-1,2-benzothiazole
Names & synonyms
SCHEMBL1594972LUJBITDQRIUZRG-UHFFFAOYSA-N6-(5-(Methylsulfonyl)-1,3,4-thiadiazol-2-yl)benzo[d]isothiazole
Database identifiers
- PubChem CID
- 67089366
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 411
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Related reactions
4 records
Compound notes
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