1-(2-methylpropyl)-9H-thioxanthene 10-oxide

C17H18OS — CID 67073726

IUPAC1-(2-methylpropyl)-9H-thioxanthene 10-oxide
SMILESCC(C)Cc1cccc2c1Cc1ccccc1S2=O
InChIInChI=1S/C17H18OS/c1-12(2)10-13-7-5-9-17-15(13)11-14-6-3-4-8-16(14)19(17)18/h3-9,12H,10-11H2,1-2H3
InChIKeyXKZCSVIVSYAVQR-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.96
Rot. Bonds2

About 1-(2-methylpropyl)-9H-thioxanthene 10-oxide

1-(2-methylpropyl)-9H-thioxanthene 10-oxide (PubChem CID 67073726) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(2-methylpropyl)-9H-thioxanthene 10-oxide.

Molecular Properties

Compound Name1-(2-methylpropyl)-9H-thioxanthene 10-oxide
PubChem CID67073726
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name1-(2-methylpropyl)-9H-thioxanthene 10-oxide
SMILESCC(C)Cc1cccc2c1Cc1ccccc1S2=O
InChIInChI=1S/C17H18OS/c1-12(2)10-13-7-5-9-17-15(13)11-14-6-3-4-8-16(14)19(17)18/h3-9,12H,10-11H2,1-2H3
InChIKeyXKZCSVIVSYAVQR-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-9H-thioxanthene 10-oxide?
The IUPAC name of 1-(2-methylpropyl)-9H-thioxanthene 10-oxide (CID 67073726) is 1-(2-methylpropyl)-9H-thioxanthene 10-oxide.
What is the SMILES notation for 1-(2-methylpropyl)-9H-thioxanthene 10-oxide?
The canonical SMILES for 1-(2-methylpropyl)-9H-thioxanthene 10-oxide is CC(C)Cc1cccc2c1Cc1ccccc1S2=O.
What is the InChIKey of 1-(2-methylpropyl)-9H-thioxanthene 10-oxide?
The InChIKey is XKZCSVIVSYAVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-12(2)10-13-7-5-9-17-15(13)11-14-6-3-4-8-16(14)19(17)18/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-9H-thioxanthene 10-oxide?
1-(2-methylpropyl)-9H-thioxanthene 10-oxide has a molecular weight of 270.40 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-9H-thioxanthene 10-oxide is sourced from PubChem (CID 67073726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).