Basic information
- Standard SMILES
Sc1cccc2cnccc12- InChIKey
KSGDGKOVRPPSSH-UHFFFAOYSA-N- Molecular formula
- C9H7NS
- Average molar mass
- 161.23 g/mol
Names & identifiers
- Preferred name
- 5-Isoquinolinethiol
- IUPAC
- isoquinoline-5-thiol
Names & synonyms
Isoquinoline-5-thiol197511-90-35-IsoquinolinethiolSCHEMBL3058354SCHEMBL8928279KSGDGKOVRPPSSH-UHFFFAOYSA-NEN300-1843962
Database identifiers
- PubChem CID
- 11051963
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 13.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Related reactions
33 records
Compound notes
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