4-Thia-1,2-diazaspiro[4.5]dec-2-ene, 3-phenyl-
Basic information
- CAS
82243-10-5- Standard SMILES
c1ccc(C2=NNC3(CCCCC3)S2)cc1- InChIKey
HFKPMQDIWZJRJD-UHFFFAOYSA-N- Molecular formula
- C13H16N2S
- Average molar mass
- 232.35 g/mol
- Monoisotopic mass
- 232.10341969
Names & identifiers
- Preferred name
- 4-Thia-1,2-diazaspiro[4.5]dec-2-ene, 3-phenyl-
- IUPAC
- 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
Names & synonyms
82243-10-53-phenyl-4-thia-1,2-diazaspiro[4.5]dec-2-ene4-Thia-1,2-diazaspiro[4.5]dec-2-ene, 3-phenyl-SCHEMBL6277486DTXSID40389684AKOS000608153
Database identifiers
- CAS
82243-10-5- PubChem CID
- 3136572
- DTXSID
DTXSID40389684
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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