14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene

C14H12S — CID 10632343

IUPAC14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)CCC1SC31
InChIInChI=1S/C14H12S/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-6,12,14H,7-8H2
InChIKeyMBIWQCBPPKDOLV-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.94
Rot. Bonds

About 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene

14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene (PubChem CID 10632343) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene
PubChem CID10632343
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)CCC1SC31
InChIInChI=1S/C14H12S/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-6,12,14H,7-8H2
InChIKeyMBIWQCBPPKDOLV-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 10708613
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Frequently Asked Questions

What is the IUPAC name of 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene?
The IUPAC name of 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene (CID 10632343) is 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene is c1ccc2c3c(ccc2c1)CCC1SC31.
What is the InChIKey of 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene?
The InChIKey is MBIWQCBPPKDOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-6,12,14H,7-8H2.
What are the key properties of 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene?
14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene has a molecular weight of 212.32 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 10632343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).