Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)CN1C(=S)SCC1C2- InChIKey
UMRWOTZETMAOGO-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S2
- Average molar mass
- 266.3 g/mol
Names & identifiers
- Preferred name
- 7-Nitro-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinoline-3-thione
- IUPAC
- 7-nitro-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinoline-3-thione
Names & synonyms
SCHEMBL11731134
Database identifiers
- PubChem CID
- 21392525
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Related reactions
1 records
Compound notes
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