2-Phenyl-1,2,4-triazaspiro(4.6)undecane-3-thione
Basic information
- CAS
39263-82-6- Standard SMILES
S=C1NC2(CCCCCC2)NN1c1ccccc1- InChIKey
ZSEZANMTGPZRIF-UHFFFAOYSA-N- Molecular formula
- C14H19N3S
- Average molar mass
- 261.39 g/mol
- Monoisotopic mass
- 261.12996879
Names & identifiers
- Preferred name
- 2-Phenyl-1,2,4-triazaspiro(4.6)undecane-3-thione
- IUPAC
- 2-phenyl-1,2,4-triazaspiro[4.6]undecane-3-thione
Names & synonyms
2-Phenyl-1,2,4-triazaspiro[4.6]undecane-3-thione39263-82-664C9BV8LPJUNII-64C9BV8LPJ2-Phenyl-1,2,4-triazaspiro(4.6)undecane-3-thioneNSC 328130NSC-328130DTXSID401925141,2,4-TRIAZASPIRO(4.6)UNDECANE-3-THIONE, 2-PHENYL-RefChem:89023DTXCID80115005NSC328130
Show more names
MLS0031707263-phenyl-1,3,4-triazaspiro[4.6]undecane-2-thioneChemDiv1_025614CHEMBL1982747HMS659M06ZSEZANMTGPZRIF-UHFFFAOYSA-NHMS1662M03CCG-45801
Database identifiers
- CAS
39263-82-6- PubChem CID
- 683248
- DTXSID
DTXSID40192514- ChEMBL
CHEMBL1982747- UNII
- 64C9BV8LPJ
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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