Basic information
- Standard SMILES
CC(C)(S)CNCc1ccc(O)cc1- InChIKey
LHEJBILFLRNEKH-UHFFFAOYSA-N- Molecular formula
- C11H17NOS
- Average molar mass
- 211.33 g/mol
- Monoisotopic mass
- 211.10308534
Names & identifiers
- Preferred name
- 4-{((2-Methyl-2-sulfanylpropyl)amino)methyl}phenol
- IUPAC
- 4-[[(2-methyl-2-sulfanylpropyl)amino]methyl]phenol
Names & synonyms
4-{((2-methyl-2-sulfanylpropyl)amino)methyl}phenol4-{[(2-methyl-2-sulfanylpropyl)amino]methyl}phenolSCHEMBL6428779LHEJBILFLRNEKH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10465757
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Related reactions
2 records
Compound notes
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