Basic information
- Standard SMILES
COc1cc(OC)c(CSc2ccccc2Br)c(OC)c1- InChIKey
SRKYDUXTCCQBBO-UHFFFAOYSA-N- Molecular formula
- C16H17BrO3S
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 368.00818
Names & identifiers
- Preferred name
- (2-Bromophenyl)(2,4,6-trimethoxybenzyl)sulfane
- IUPAC
- 2-[(2-bromophenyl)sulfanylmethyl]-1,3,5-trimethoxybenzene
Names & synonyms
SCHEMBL995723SRKYDUXTCCQBBO-UHFFFAOYSA-N(2-bromophenyl)(2,4,6-trimethoxybenzyl)sulfane
Database identifiers
- PubChem CID
- 66870845
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 291
Related reactions
8 records
Compound notes
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