17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene

C18H12S — CID 71206148

IUPAC17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene
SMILESc1ccc2c(c1)C1c3ccccc3C2c2cscc21
InChIInChI=1S/C18H12S/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-19-9-15(16)17/h1-10,17-18H
InChIKeyGFAFZYPBTKDJBD-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.74
Rot. Bonds

About 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene

17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene (PubChem CID 71206148) has the molecular formula C18H12S and a molecular weight of 260.36 g/mol. Its IUPAC name is 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene.

Molecular Properties

Compound Name17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene
PubChem CID71206148
Molecular FormulaC18H12S
Molecular Weight260.36 g/mol
Exact Mass260.07
IUPAC Name17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene
SMILESc1ccc2c(c1)C1c3ccccc3C2c2cscc21
InChIInChI=1S/C18H12S/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-19-9-15(16)17/h1-10,17-18H
InChIKeyGFAFZYPBTKDJBD-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene?
The IUPAC name of 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene (CID 71206148) is 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene.
What is the SMILES notation for 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene?
The canonical SMILES for 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene is c1ccc2c(c1)C1c3ccccc3C2c2cscc21.
What is the InChIKey of 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene?
The InChIKey is GFAFZYPBTKDJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-19-9-15(16)17/h1-10,17-18H.
What are the key properties of 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene?
17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene has a molecular weight of 260.36 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene is sourced from PubChem (CID 71206148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).