6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one

C13H10OS — CID 768492

IUPAC6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one
SMILESO=C1c2ccccc2CCc2sccc21
InChIInChI=1S/C13H10OS/c14-13-10-4-2-1-3-9(10)5-6-12-11(13)7-8-15-12/h1-4,7-8H,5-6H2
InChIKeyJAGBUENUSNSSFW-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.08
Rot. Bonds

About 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one

6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one (PubChem CID 768492) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one.

Molecular Properties

Compound Name6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one
PubChem CID768492
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one
SMILESO=C1c2ccccc2CCc2sccc21
InChIInChI=1S/C13H10OS/c14-13-10-4-2-1-3-9(10)5-6-12-11(13)7-8-15-12/h1-4,7-8H,5-6H2
InChIKeyJAGBUENUSNSSFW-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Thienylmethylene)indane-1,3-dione
CID 730427
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
2-Benzoylthiophene
CID 67262
3-Acetylbenzothiophene
CID 14316
3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
CID 19891
5-Phenylthiophene-2-carbaldehyde
CID 177053
(2E)-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CID 5702653
4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
(2E)-2-[(Thiophen-2-YL)methylidene]-2,3-dihydro-1H-inden-1-one
CID 2305465
1-(2-Naphthyl)-3-(2-thienyl)-2-propen-1-one
CID 5377660
Dibenzo[b,e]thiepin-11(6H)-one
CID 73741
2-Phenyl-1-(2-thienyl)ethanone
CID 687090

Frequently Asked Questions

What is the IUPAC name of 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one?
The IUPAC name of 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one (CID 768492) is 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one.
What is the SMILES notation for 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one?
The canonical SMILES for 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one is O=C1c2ccccc2CCc2sccc21.
What is the InChIKey of 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one?
The InChIKey is JAGBUENUSNSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-13-10-4-2-1-3-9(10)5-6-12-11(13)7-8-15-12/h1-4,7-8H,5-6H2.
What are the key properties of 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one?
6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one has a molecular weight of 214.29 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one is sourced from PubChem (CID 768492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).