Basic information
- Standard SMILES
CC(C)n1c(=O)sc2cc([N+](=O)[O-])ccc21- InChIKey
QCJVUJJQCIHQMJ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3S
- Average molar mass
- 238.27 g/mol
Names & identifiers
- Preferred name
- 6-nitro-3-isopropyl-2(3H)-benzothiazolone
- IUPAC
- 6-nitro-3-propan-2-yl-1,3-benzothiazol-2-one
Names & synonyms
SCHEMBL3034372QCJVUJJQCIHQMJ-UHFFFAOYSA-N6-nitro-3-isopropyl-2(3H)-benzothiazolone
Database identifiers
- PubChem CID
- 21878060
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Related reactions
3 records
Compound notes
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