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

C15H16S — CID 171099983

IUPACethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
SMILESC1=CC2CC2c2c1sc1ccccc21.CC
InChIInChI=1S/C13H10S.C2H6/c1-2-4-11-9(3-1)13-10-7-8(10)5-6-12(13)14-11;1-2/h1-6,8,10H,7H2;1-2H3
InChIKeyOIVPNPIUTIBLDX-UHFFFAOYSA-N
MW228.36 g/mol
LogP5.06
Rot. Bonds

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

ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene (PubChem CID 171099983) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene.

Molecular Properties

Compound Nameethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
PubChem CID171099983
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Nameethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
SMILESC1=CC2CC2c2c1sc1ccccc21.CC
InChIInChI=1S/C13H10S.C2H6/c1-2-4-11-9(3-1)13-10-7-8(10)5-6-12(13)14-11;1-2/h1-6,8,10H,7H2;1-2H3
InChIKeyOIVPNPIUTIBLDX-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;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

13-methyl-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
CID 142416250
ethane;4-[(3E,5Z)-nona-1,3,5-trien-4-yl]-8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaene
CID 145265122
1-bromo-1,2-dihydrodibenzothiophene
CID 139551326
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
2-bromo-1,2-dihydrodibenzothiophene
CID 135176935
bis(dibenzothiophene);ethane
CID 143921746
8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 142466952
N-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]aniline
CID 140821265
18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene
CID 142416237
4-bromo-1-methyl-1,2,3,4-tetrahydrodibenzothiophene
CID 115418076
dibenzothiophene;methane
CID 162233710
2-methyl-1H-cyclopenta[b][1]benzothiole
CID 68583963

Frequently Asked Questions

What is the IUPAC name of ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The IUPAC name of ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene (CID 171099983) is ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene.
What is the SMILES notation for ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The canonical SMILES for ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene is C1=CC2CC2c2c1sc1ccccc21.CC.
What is the InChIKey of ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The InChIKey is OIVPNPIUTIBLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.C2H6/c1-2-4-11-9(3-1)13-10-7-8(10)5-6-12(13)14-11;1-2/h1-6,8,10H,7H2;1-2H3.
What are the key properties of ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene has a molecular weight of 228.36 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene is sourced from PubChem (CID 171099983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).