9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene

C19H16S — CID 155239563

IUPAC9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene
SMILESC1=CCC(C2c3ccccc3Sc3ccccc32)C=C1
InChIInChI=1S/C19H16S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-8,10-14,19H,9H2
InChIKeyDKULUKAVMAREAF-UHFFFAOYSA-N
MW276.40 g/mol
LogP5.42
Rot. Bonds1

About 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene

9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene (PubChem CID 155239563) has the molecular formula C19H16S and a molecular weight of 276.40 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene
PubChem CID155239563
Molecular FormulaC19H16S
Molecular Weight276.40 g/mol
Exact Mass276.10
IUPAC Name9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene
SMILESC1=CCC(C2c3ccccc3Sc3ccccc32)C=C1
InChIInChI=1S/C19H16S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-8,10-14,19H,9H2
InChIKeyDKULUKAVMAREAF-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene
CID 142749479
2-(9H-thioxanthen-9-yl)-1,3-dioxolane
CID 11587116
(5R)-5-chloro-5,6-dihydrobenzo[b][1]benzothiepine
CID 86310640
2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 163387067
9H-thioxanthene-9-carbaldehyde
CID 19958681
(7R)-7-(9H-thioxanthen-9-yl)-1,4-dioxaspiro[4.5]decan-8-one
CID 54752067
(4S,5R)-5-cyclohexa-2,4-dien-1-yl-1,1-dioxospiro[4,5-dihydro-2H-1λ6-benzothiepine-3,1'-cyclohexane]-4-ol
CID 163474423
6-chloro-6H-benzo[b][1]benzothiepin-5-one
CID 69155112
ethane;5-methyl-5,6-dihydrobenzo[b][1]benzothiepine
CID 90870918
CID 160621349
CID 160621349
2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide
CID 67426658
1-cyclohexa-2,4-dien-1-yl-2-propylbenzene
CID 156826957

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene (CID 155239563) is 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene is C1=CCC(C2c3ccccc3Sc3ccccc32)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene?
The InChIKey is DKULUKAVMAREAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-8,10-14,19H,9H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene?
9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene has a molecular weight of 276.40 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene is sourced from PubChem (CID 155239563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).