5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one

C14H10OS — CID 23543635

IUPAC5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
SMILESCc1cc2c(=O)c3ccccc3ccc2s1
InChIInChI=1S/C14H10OS/c1-9-8-12-13(16-9)7-6-10-4-2-3-5-11(10)14(12)15/h2-8H,1H3
InChIKeyMTBVVMAEAAUAFL-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.72
Rot. Bonds

About 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one

5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one (PubChem CID 23543635) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one.

Molecular Properties

Compound Name5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
PubChem CID23543635
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
SMILESCc1cc2c(=O)c3ccccc3ccc2s1
InChIInChI=1S/C14H10OS/c1-9-8-12-13(16-9)7-6-10-4-2-3-5-11(10)14(12)15/h2-8H,1H3
InChIKeyMTBVVMAEAAUAFL-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one with MolForge

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Related Compounds

2-methylbenzo[e][1]benzothiole
CID 13101461
2-methylthieno[2,3-b]thiochromen-4-one
CID 14920148
3-methylisothiochromen-1-one
CID 14814143
2-ethoxythioxanthen-9-one
CID 14150410
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
2-tert-butylthioxanthen-9-one
CID 15593710
5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 123689465
1H-benzo[e][1,3]benzothiazol-2-one
CID 14596408
cerium;2-propan-2-ylthioxanthen-9-one
CID 174919316
2,4,5-trimethyl-1-benzothiophene
CID 54060383
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
benzo[e][1]benzothiole-2-carbaldehyde
CID 13128317

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one?
The IUPAC name of 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one (CID 23543635) is 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one.
What is the SMILES notation for 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one?
The canonical SMILES for 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one is Cc1cc2c(=O)c3ccccc3ccc2s1.
What is the InChIKey of 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one?
The InChIKey is MTBVVMAEAAUAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c1-9-8-12-13(16-9)7-6-10-4-2-3-5-11(10)14(12)15/h2-8H,1H3.
What are the key properties of 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one?
5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one has a molecular weight of 226.30 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one is sourced from PubChem (CID 23543635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).