Basic information
- CAS
90094-34-1- Standard SMILES
Cc1cc(C)nc(SCCCCCCNc2ccccc2)n1- InChIKey
PXJXGJSPSWHDSF-UHFFFAOYSA-N- Molecular formula
- C18H25N3S
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.17691898
Names & identifiers
- Preferred name
- Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
- IUPAC
- N-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]aniline
Names & synonyms
BRN 5567811BENZENAMINE, N-(6-((4,6-DIMETHYL-2-PYRIMIDINYL)THIO)HEXYL)-90094-34-12-((5-Anilinohexyl)thio)-4,6-dimethylpyrimidinePyrimidine, 2-((5-anilinohexyl)thio)-4,6-dimethyl-DTXSID00238028RefChem:322989DTXCID20160519N-{6-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]hexyl}anilineSTL168078AKOS003678508
Database identifiers
- CAS
90094-34-1- PubChem CID
- 56039
- DTXSID
DTXSID00238028
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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