8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one

C12H10OS — CID 15358575

IUPAC8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one
SMILESO=C1CCC23c4ccccc4SC2C13
InChIInChI=1S/C12H10OS/c13-8-5-6-12-7-3-1-2-4-9(7)14-11(12)10(8)12/h1-4,10-11H,5-6H2
InChIKeyVQXKASJJEGNBLD-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.39
Rot. Bonds

About 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one

8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one (PubChem CID 15358575) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one.

Molecular Properties

Compound Name8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one
PubChem CID15358575
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one
SMILESO=C1CCC23c4ccccc4SC2C13
InChIInChI=1S/C12H10OS/c13-8-5-6-12-7-3-1-2-4-9(7)14-11(12)10(8)12/h1-4,10-11H,5-6H2
InChIKeyVQXKASJJEGNBLD-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one
CID 102369671
2-bromo-4,4-diphenylcyclohexan-1-one
CID 68684399
4,4-dimethyl-2,3-dihydrothiochromene-2-carboxylic acid
CID 165485156
4-[(1S,5S,6S)-4-oxo-1-phenyl-6-bicyclo[3.1.0]hexanyl]benzonitrile
CID 101001916
4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile
CID 101069205
2,4,4-triphenyl-2,3-dihydrothiochromene
CID 101125392
3-hydroxy-2H-1-benzothiophene-3-carboxylic acid
CID 82399650
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
(2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one
CID 2443133
2'-chlorospiro[cyclohexane-4,9'-thioxanthene]-1-one
CID 12897976
(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one
CID 10375433
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175

Frequently Asked Questions

What is the IUPAC name of 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one?
The IUPAC name of 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one (CID 15358575) is 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one.
What is the SMILES notation for 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one?
The canonical SMILES for 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one is O=C1CCC23c4ccccc4SC2C13.
What is the InChIKey of 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one?
The InChIKey is VQXKASJJEGNBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-8-5-6-12-7-3-1-2-4-9(7)14-11(12)10(8)12/h1-4,10-11H,5-6H2.
What are the key properties of 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one?
8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one has a molecular weight of 202.28 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one is sourced from PubChem (CID 15358575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).