Basic information
- Standard SMILES
CCSC(=N)N1Cc2ccccc2-c2ccccc2C1- InChIKey
XUIHCWMHGNCICB-UHFFFAOYSA-N- Molecular formula
- C17H18N2S
- Average molar mass
- 282.4 g/mol
Names & identifiers
- Preferred name
- ethyl 5,7-dihydro-6H-dibenz[c,e]azepine-6-thiocarboximidate
- IUPAC
- ethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidothioate
Names & synonyms
SCHEMBL9705816XUIHCWMHGNCICB-UHFFFAOYSA-Nethyl 5,7-dihydro-6H-dibenz[c,e]azepine-6-thiocarboximidate
Database identifiers
- PubChem CID
- 20041719
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
3 records
Compound notes
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