6-Bromo-2,2-dimethylthiochroman-4-one

HCID 22218317
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Basic information

Standard SMILES
CC1(C)CC(=O)c2cc(Br)ccc2S1
InChIKey
KVPMXEMODNMSMM-UHFFFAOYSA-N
Molecular formula
C11H11BrOS
Average molar mass
271.18 g/mol

Names & identifiers

Preferred name
6-Bromo-2,2-dimethylthiochroman-4-one
IUPAC
6-bromo-2,2-dimethyl-3H-thiochromen-4-one

Names & synonyms

6-bromo-2,2-dimethylthiochroman-4-one204449-18-3SCHEMBL4420836KVPMXEMODNMSMM-UHFFFAOYSA-N2,2-dimethyl-6-bromo-thiochroman-4-oneF52145

Database identifiers

PubChem CID
22218317

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
14

Related reactions

8 records
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Linked notes

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