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Basic information
- Standard SMILES
CCCCC1(CCCC)CCSc2ccc(Br)cc21- InChIKey
OQEAWWZZPLPNEG-UHFFFAOYSA-N- Molecular formula
- C17H25BrS
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-4,4-dibutylthiochroman
- IUPAC
- 6-bromo-4,4-dibutyl-2,3-dihydrothiochromene
Names & synonyms
SCHEMBL76508356-bromo-4,4-dibutylthiochromanOQEAWWZZPLPNEG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 18322011
Properties
Computed structural propertiesFilling in
- XLogP
- 7.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 258
Related reactions
7 records
Compound notes
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