10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene

C12H14S — CID 59518921

IUPAC10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene
SMILESc1ccc2c(c1)C1CCC2CSC1
InChIInChI=1S/C12H14S/c1-2-4-12-10-6-5-9(7-13-8-10)11(12)3-1/h1-4,9-10H,5-8H2
InChIKeyICKDBGMGEIOHHA-UHFFFAOYSA-N
MW190.31 g/mol
LogP3.39
Rot. Bonds

About 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene

10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene (PubChem CID 59518921) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene
PubChem CID59518921
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene
SMILESc1ccc2c(c1)C1CCC2CSC1
InChIInChI=1S/C12H14S/c1-2-4-12-10-6-5-9(7-13-8-10)11(12)3-1/h1-4,9-10H,5-8H2
InChIKeyICKDBGMGEIOHHA-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene?
The IUPAC name of 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene (CID 59518921) is 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene?
The canonical SMILES for 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene is c1ccc2c(c1)C1CCC2CSC1.
What is the InChIKey of 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene?
The InChIKey is ICKDBGMGEIOHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S/c1-2-4-12-10-6-5-9(7-13-8-10)11(12)3-1/h1-4,9-10H,5-8H2.
What are the key properties of 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene?
10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene has a molecular weight of 190.31 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 59518921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).