Basic information
- Standard SMILES
CCCCC(N)C(O)C1(c2ccccc2)SCCCS1- InChIKey
SKIFEHDIRZBRBE-UHFFFAOYSA-N- Molecular formula
- C16H25NOS2
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.13775677
Names & identifiers
- Preferred name
- 2-Amino-1-(2-phenyl-1,3-dithian-2-yl)hexan-1-ol
- IUPAC
- 2-amino-1-(2-phenyl-1,3-dithian-2-yl)hexan-1-ol
Names & synonyms
SCHEMBL3622162
Database identifiers
- PubChem CID
- 21962665
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 276
Related reactions
1 records
Compound notes
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