2,7-dimethyl-9H-thioxanthene 10-oxide

C15H14OS — CID 70527771

IUPAC2,7-dimethyl-9H-thioxanthene 10-oxide
SMILESCc1ccc2c(c1)Cc1cc(C)ccc1S2=O
InChIInChI=1S/C15H14OS/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)17(14)16/h3-8H,9H2,1-2H3
InChIKeyBNLFKLPHGJTGIF-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.37
Rot. Bonds

About 2,7-dimethyl-9H-thioxanthene 10-oxide

2,7-dimethyl-9H-thioxanthene 10-oxide (PubChem CID 70527771) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2,7-dimethyl-9H-thioxanthene 10-oxide.

Molecular Properties

Compound Name2,7-dimethyl-9H-thioxanthene 10-oxide
PubChem CID70527771
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2,7-dimethyl-9H-thioxanthene 10-oxide
SMILESCc1ccc2c(c1)Cc1cc(C)ccc1S2=O
InChIInChI=1S/C15H14OS/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)17(14)16/h3-8H,9H2,1-2H3
InChIKeyBNLFKLPHGJTGIF-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9H-thioxanthene 10-oxide?
The IUPAC name of 2,7-dimethyl-9H-thioxanthene 10-oxide (CID 70527771) is 2,7-dimethyl-9H-thioxanthene 10-oxide.
What is the SMILES notation for 2,7-dimethyl-9H-thioxanthene 10-oxide?
The canonical SMILES for 2,7-dimethyl-9H-thioxanthene 10-oxide is Cc1ccc2c(c1)Cc1cc(C)ccc1S2=O.
What is the InChIKey of 2,7-dimethyl-9H-thioxanthene 10-oxide?
The InChIKey is BNLFKLPHGJTGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)17(14)16/h3-8H,9H2,1-2H3.
What are the key properties of 2,7-dimethyl-9H-thioxanthene 10-oxide?
2,7-dimethyl-9H-thioxanthene 10-oxide has a molecular weight of 242.34 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9H-thioxanthene 10-oxide is sourced from PubChem (CID 70527771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).