13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene

C14H12S — CID 142416250

IUPAC13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
SMILESCC1C2C=Cc3sc4ccccc4c3C12
InChIInChI=1S/C14H12S/c1-8-9-6-7-12-14(13(8)9)10-4-2-3-5-11(10)15-12/h2-9,13H,1H3
InChIKeyKQJOWWJJEVWDMU-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.28
Rot. Bonds

About 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene

13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene (PubChem CID 142416250) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene.

Molecular Properties

Compound Name13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
PubChem CID142416250
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
SMILESCC1C2C=Cc3sc4ccccc4c3C12
InChIInChI=1S/C14H12S/c1-8-9-6-7-12-14(13(8)9)10-4-2-3-5-11(10)15-12/h2-9,13H,1H3
InChIKeyKQJOWWJJEVWDMU-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene with MolForge

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Related Compounds

N-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]aniline
CID 140821265
ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
CID 171099983
1-bromo-1,2-dihydrodibenzothiophene
CID 139551326
2-bromo-1,2-dihydrodibenzothiophene
CID 135176935
tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))
CID 162287210
tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))
CID 162298899
tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;7-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-ide;tris(titanium(4+))
CID 162289769
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
4-bromo-1-methyl-1,2,3,4-tetrahydrodibenzothiophene
CID 115418076
bis(dibenzothiophene);ethane
CID 143921746
1-N,8-N-di(dibenzothiophen-2-yl)-2-methyl-1-N,8-N-diphenyl-1,2-dihydrodibenzothiophene-1,8-diamine
CID 154955097
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The IUPAC name of 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene (CID 142416250) is 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene.
What is the SMILES notation for 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The canonical SMILES for 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene is CC1C2C=Cc3sc4ccccc4c3C12.
What is the InChIKey of 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The InChIKey is KQJOWWJJEVWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-8-9-6-7-12-14(13(8)9)10-4-2-3-5-11(10)15-12/h2-9,13H,1H3.
What are the key properties of 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene has a molecular weight of 212.32 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene is sourced from PubChem (CID 142416250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).