ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene

C17H19F3OS — CID 142209659

IUPACethane;methanol;9-(trifluoromethyl)-9H-thioxanthene
SMILESCC.CO.FC(F)(F)C1c2ccccc2Sc2ccccc21
InChIInChI=1S/C14H9F3S.C2H6.CH4O/c15-14(16,17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13;2*1-2/h1-8,13H;1-2H3;2H,1H3
InChIKeyRJQKXJSPCDQEPL-UHFFFAOYSA-N
MW328.40 g/mol
LogP5.48
Rot. Bonds

About ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene

ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene (PubChem CID 142209659) has the molecular formula C17H19F3OS and a molecular weight of 328.40 g/mol. Its IUPAC name is ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene.

Molecular Properties

Compound Nameethane;methanol;9-(trifluoromethyl)-9H-thioxanthene
PubChem CID142209659
Molecular FormulaC17H19F3OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Nameethane;methanol;9-(trifluoromethyl)-9H-thioxanthene
SMILESCC.CO.FC(F)(F)C1c2ccccc2Sc2ccccc21
InChIInChI=1S/C14H9F3S.C2H6.CH4O/c15-14(16,17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13;2*1-2/h1-8,13H;1-2H3;2H,1H3
InChIKeyRJQKXJSPCDQEPL-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.40
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene 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 ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene?
The IUPAC name of ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene (CID 142209659) is ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene.
What is the SMILES notation for ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene?
The canonical SMILES for ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene is CC.CO.FC(F)(F)C1c2ccccc2Sc2ccccc21.
What is the InChIKey of ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene?
The InChIKey is RJQKXJSPCDQEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3S.C2H6.CH4O/c15-14(16,17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13;2*1-2/h1-8,13H;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene?
ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene has a molecular weight of 328.40 g/mol, XLogP of 5.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene is sourced from PubChem (CID 142209659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).