2,2-Dimethyl-4(tol-4-yl)-6-bromo-thiochrom-3-ene

HCID 86191487
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Basic information

Standard SMILES
Cc1ccc(C2=CC(C)(C)Sc3ccc(Br)cc32)cc1
InChIKey
PUIOVXXODUICNL-UHFFFAOYSA-N
Molecular formula
C18H17BrS
Average molar mass
345.3 g/mol

Names & identifiers

Preferred name
2,2-Dimethyl-4(tol-4-yl)-6-bromo-thiochrom-3-ene
IUPAC
6-bromo-2,2-dimethyl-4-(4-methylphenyl)thiochromene

Names & synonyms

PUIOVXXODUICNL-UHFFFAOYSA-N2,2-Dimethyl-4(tol-4-yl)-6-bromo-thiochrom-3-ene

Database identifiers

PubChem CID
86191487

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
20

Related reactions

8 records
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Linked notes

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