1-propan-2-yl-9H-thioxanthene

C16H16S — CID 23368911

IUPAC1-propan-2-yl-9H-thioxanthene
SMILESCC(C)c1cccc2c1Cc1ccccc1S2
InChIInChI=1S/C16H16S/c1-11(2)13-7-5-9-16-14(13)10-12-6-3-4-8-15(12)17-16/h3-9,11H,10H2,1-2H3
InChIKeyUERLHASVVYLVKI-UHFFFAOYSA-N
MW240.37 g/mol
LogP4.87
Rot. Bonds1

About 1-propan-2-yl-9H-thioxanthene

1-propan-2-yl-9H-thioxanthene (PubChem CID 23368911) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-propan-2-yl-9H-thioxanthene.

Molecular Properties

Compound Name1-propan-2-yl-9H-thioxanthene
PubChem CID23368911
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name1-propan-2-yl-9H-thioxanthene
SMILESCC(C)c1cccc2c1Cc1ccccc1S2
InChIInChI=1S/C16H16S/c1-11(2)13-7-5-9-16-14(13)10-12-6-3-4-8-15(12)17-16/h3-9,11H,10H2,1-2H3
InChIKeyUERLHASVVYLVKI-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-9H-thioxanthene?
The IUPAC name of 1-propan-2-yl-9H-thioxanthene (CID 23368911) is 1-propan-2-yl-9H-thioxanthene.
What is the SMILES notation for 1-propan-2-yl-9H-thioxanthene?
The canonical SMILES for 1-propan-2-yl-9H-thioxanthene is CC(C)c1cccc2c1Cc1ccccc1S2.
What is the InChIKey of 1-propan-2-yl-9H-thioxanthene?
The InChIKey is UERLHASVVYLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S/c1-11(2)13-7-5-9-16-14(13)10-12-6-3-4-8-15(12)17-16/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-propan-2-yl-9H-thioxanthene?
1-propan-2-yl-9H-thioxanthene has a molecular weight of 240.37 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-9H-thioxanthene is sourced from PubChem (CID 23368911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).