Basic information
- Standard SMILES
Cc1c(SC2=NCCN2)c2ccccc2n1C- InChIKey
UTBSVZUUZKIOQF-UHFFFAOYSA-N- Molecular formula
- C13H15N3S
- Average molar mass
- 245.35 g/mol
- Monoisotopic mass
- 245.09866866
Names & identifiers
- Preferred name
- 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,2-dimethylindole
- IUPAC
- 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,2-dimethylindole
Names & synonyms
SCHEMBL11685891
Database identifiers
- PubChem CID
- 12934708
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Related reactions
1 records
Compound notes
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