Basic information
- Standard SMILES
O=CC1CCSc2[nH]c3ccccc3c21- InChIKey
IXSYWIUSHNLGHK-UHFFFAOYSA-N- Molecular formula
- C12H11NOS
- Average molar mass
- 217.29 g/mol
Names & identifiers
- Preferred name
- 4-Formyl-2,3,4,9-tetrahydrothiopyrano[2,3-b]indole
- IUPAC
- 2,3,4,9-tetrahydrothiopyrano[2,3-b]indole-4-carbaldehyde
Names & synonyms
SCHEMBL11390050IXSYWIUSHNLGHK-UHFFFAOYSA-N4-Formyl-2,3,4,9-tetrahydrothiopyrano[2,3-b]indole(r,s)-2,3,4,9-tetrahydro-thiopyrano[2,3-b]indole-4-carbaldehyde
Database identifiers
- PubChem CID
- 14735629
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
5 records
Compound notes
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