Basic information
- Standard SMILES
CC(C)SC(C)(C)CNc1ccccc1NCC(C)(C)S- InChIKey
XKYWLKMVKUNLET-UHFFFAOYSA-N- Molecular formula
- C17H30N2S2
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 326.18504131
Names & identifiers
- Preferred name
- 2-(2-Mercapto-2-methylpropylamino)-1-[2-(1-methylethylthio)-2-methylpropylamino]benzene
- IUPAC
- 2-methyl-1-[2-[(2-methyl-2-propan-2-ylsulfanylpropyl)amino]anilino]propane-2-thiol
Names & synonyms
SCHEMBL9322623XKYWLKMVKUNLET-UHFFFAOYSA-N2-(2-mercapto-2-methylpropylamino)-1-[2-(1-methylethylthio)-2-methylpropylamino]benzene
Database identifiers
- PubChem CID
- 10087795
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Related reactions
3 records
Compound notes
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