3-pyridin-3-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-4-carbonitrile
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Basic information
- CAS
382653-06-7- Standard SMILES
N#Cc1c2c([nH]c(=S)c1-c1cccnc1)CCCC2- InChIKey
KLBNAHXGCUEUAK-UHFFFAOYSA-N- Molecular formula
- C15H13N3S
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.0830186
Names & identifiers
- Preferred name
- 3-pyridin-3-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-4-carbonitrile
- IUPAC
- 3-pyridin-3-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-4-carbonitrile
- English name
- 4-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-3-(3-pyridinyl)-2-thioxo-
- Molecular formula
- C15H13N3S
- Molecular weight
- 0
Names & synonyms
Oprea1_7955504-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-3-(3-pyridinyl)-2-thioxo-
Database identifiers
- CAS
382653-06-7- PubChem CID
- 23906150
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
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Compound notes
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