6-Bromo-8-chloro-4,4-dimethylthiochroman

HCID 66764938

Notes Reactions

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Basic information

Standard SMILES: CC1(C)CCSc2c(Cl)cc(Br)cc21
InChIKey: GJJRGLBMAOEJSR-UHFFFAOYSA-N
Molecular formula: C11H12BrClS
Average molar mass: 291.64 g/mol

Names & identifiers

Preferred name: 6-Bromo-8-chloro-4,4-dimethylthiochroman
IUPAC: 6-bromo-8-chloro-4,4-dimethyl-2,3-dihydrothiochromene

Names & synonyms

6-bromo-8-chloro-4,4-dimethylthiochroman6-Bromo-8-chloro-4,4-dimethylthiochromaneSCHEMBL670617GJJRGLBMAOEJSR-UHFFFAOYSA-N6-bromo-8-chloro-4,4-dimethyl-3,4-dihydro-2H-thiochromeneDB-341738

Database identifiers

PubChem CID: 66764938

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 219

Related reactions

2 records

New reaction record

HRID 402808As productuspto-grants-2014_06

HRID 402809As reactantuspto-grants-2014_06

Compound notes

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