10H-acridine-9-thione;2,2,2-trifluoroacetic acid

C15H10F3NO2S — CID 71410510

IUPAC10H-acridine-9-thione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.S=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/C13H9NS.C2HF3O2/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;3-2(4,5)1(6)7/h1-8H,(H,14,15);(H,6,7)
InChIKeyYSRLCUNQYATLMG-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.68
Rot. Bonds

About 10H-acridine-9-thione;2,2,2-trifluoroacetic acid

10H-acridine-9-thione;2,2,2-trifluoroacetic acid (PubChem CID 71410510) has the molecular formula C15H10F3NO2S and a molecular weight of 325.31 g/mol. Its IUPAC name is 10H-acridine-9-thione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name10H-acridine-9-thione;2,2,2-trifluoroacetic acid
PubChem CID71410510
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC Name10H-acridine-9-thione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.S=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/C13H9NS.C2HF3O2/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;3-2(4,5)1(6)7/h1-8H,(H,14,15);(H,6,7)
InChIKeyYSRLCUNQYATLMG-UHFFFAOYSA-N
XLogP4.68
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 67577328
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CID 162147282
2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid
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3-ethyl-4-sulfanylidene-1H-quinoline-2-carboxylic acid
CID 145301705
9H-carbazole
CID 66668984
9H-carbazole;propanoic acid
CID 68841226
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
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10H-acridin-9-one
CID 22753806

Frequently Asked Questions

What is the IUPAC name of 10H-acridine-9-thione;2,2,2-trifluoroacetic acid?
The IUPAC name of 10H-acridine-9-thione;2,2,2-trifluoroacetic acid (CID 71410510) is 10H-acridine-9-thione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 10H-acridine-9-thione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 10H-acridine-9-thione;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.S=c1c2ccccc2[nH]c2ccccc12.
What is the InChIKey of 10H-acridine-9-thione;2,2,2-trifluoroacetic acid?
The InChIKey is YSRLCUNQYATLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS.C2HF3O2/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;3-2(4,5)1(6)7/h1-8H,(H,14,15);(H,6,7).
What are the key properties of 10H-acridine-9-thione;2,2,2-trifluoroacetic acid?
10H-acridine-9-thione;2,2,2-trifluoroacetic acid has a molecular weight of 325.31 g/mol, XLogP of 4.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-acridine-9-thione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71410510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).