4-(3,5-Dimethyl-benzylidene)-9,10-dihydro-4H-1-thia-benzo[f]azulene

HCID 68938366
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Basic information

Standard SMILES
Cc1cc(C)cc(C=C2c3ccccc3CCc3sccc32)c1
InChIKey
VGRXZXGLNUULEA-UHFFFAOYSA-N
Molecular formula
C22H20S
Average molar mass
316.5 g/mol

Names & identifiers

Preferred name
4-(3,5-Dimethyl-benzylidene)-9,10-dihydro-4H-1-thia-benzo[f]azulene
IUPAC
2-[(3,5-dimethylphenyl)methylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene

Names & synonyms

SCHEMBL4163842VGRXZXGLNUULEA-UHFFFAOYSA-N4-(3,5-Dimethyl-benzylidene)-9,10-dihydro-4H-1-thia-benzo[f]azulene

Database identifiers

PubChem CID
68938366

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
23

Related reactions

1 records
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Compound notes

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