6-fluoro-2-propan-2-yl-9H-thioxanthene

C16H15FS — CID 69166857

IUPAC6-fluoro-2-propan-2-yl-9H-thioxanthene
SMILESCC(C)c1ccc2c(c1)Cc1ccc(F)cc1S2
InChIInChI=1S/C16H15FS/c1-10(2)11-4-6-15-13(7-11)8-12-3-5-14(17)9-16(12)18-15/h3-7,9-10H,8H2,1-2H3
InChIKeyMPUVZBNSBXQRBY-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.00
Rot. Bonds1

About 6-fluoro-2-propan-2-yl-9H-thioxanthene

6-fluoro-2-propan-2-yl-9H-thioxanthene (PubChem CID 69166857) has the molecular formula C16H15FS and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-fluoro-2-propan-2-yl-9H-thioxanthene.

Molecular Properties

Compound Name6-fluoro-2-propan-2-yl-9H-thioxanthene
PubChem CID69166857
Molecular FormulaC16H15FS
Molecular Weight258.36 g/mol
Exact Mass258.09
IUPAC Name6-fluoro-2-propan-2-yl-9H-thioxanthene
SMILESCC(C)c1ccc2c(c1)Cc1ccc(F)cc1S2
InChIInChI=1S/C16H15FS/c1-10(2)11-4-6-15-13(7-11)8-12-3-5-14(17)9-16(12)18-15/h3-7,9-10H,8H2,1-2H3
InChIKeyMPUVZBNSBXQRBY-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-2-propan-2-yl-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 6-fluoro-2-propan-2-yl-9H-thioxanthene?
The IUPAC name of 6-fluoro-2-propan-2-yl-9H-thioxanthene (CID 69166857) is 6-fluoro-2-propan-2-yl-9H-thioxanthene.
What is the SMILES notation for 6-fluoro-2-propan-2-yl-9H-thioxanthene?
The canonical SMILES for 6-fluoro-2-propan-2-yl-9H-thioxanthene is CC(C)c1ccc2c(c1)Cc1ccc(F)cc1S2.
What is the InChIKey of 6-fluoro-2-propan-2-yl-9H-thioxanthene?
The InChIKey is MPUVZBNSBXQRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FS/c1-10(2)11-4-6-15-13(7-11)8-12-3-5-14(17)9-16(12)18-15/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 6-fluoro-2-propan-2-yl-9H-thioxanthene?
6-fluoro-2-propan-2-yl-9H-thioxanthene has a molecular weight of 258.36 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propan-2-yl-9H-thioxanthene is sourced from PubChem (CID 69166857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).