Basic information
- Standard SMILES
CCc1cc(CN)c(SC(C)(C)C)nc1C- InChIKey
OZKDBWYCPVWUHG-UHFFFAOYSA-N- Molecular formula
- C13H22N2S
- Average molar mass
- 238.39 g/mol
Names & identifiers
- Preferred name
- 2-t-Butylthio-3-(aminomethyl)-5-ethyl-6-methylpyridine
- IUPAC
- (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine
Names & synonyms
SCHEMBL9431814OZKDBWYCPVWUHG-UHFFFAOYSA-NDB-3763372-t-butylthio-3-(aminomethyl)-5-ethyl-6-methylpyridine2-[(1,1-Dimethylethyl)thio]-5-ethyl-6-methyl-3-pyridinemethanamine139394-09-5
Database identifiers
- PubChem CID
- 19086250
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Related reactions
1 records
Compound notes
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