1-tritioindole

C8H7N — CID 89280765

IUPAC1-tritioindole
SMILES[3H]n1ccc2ccccc21
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/i/hT
InChIKeySIKJAQJRHWYJAI-MNYXATJNSA-N
MW119.16 g/mol
LogP2.17
Rot. Bonds

About 1-tritioindole

1-tritioindole (PubChem CID 89280765) has the molecular formula C8H7N and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-tritioindole.

Molecular Properties

Compound Name1-tritioindole
PubChem CID89280765
Molecular FormulaC8H7N
Molecular Weight119.16 g/mol
Exact Mass119.07
IUPAC Name1-tritioindole
SMILES[3H]n1ccc2ccccc21
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/i/hT
InChIKeySIKJAQJRHWYJAI-MNYXATJNSA-N
XLogP2.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tritioindole?
The IUPAC name of 1-tritioindole (CID 89280765) is 1-tritioindole.
What is the SMILES notation for 1-tritioindole?
The canonical SMILES for 1-tritioindole is [3H]n1ccc2ccccc21.
What is the InChIKey of 1-tritioindole?
The InChIKey is SIKJAQJRHWYJAI-MNYXATJNSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/i/hT.
What are the key properties of 1-tritioindole?
1-tritioindole has a molecular weight of 119.16 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritioindole is sourced from PubChem (CID 89280765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).