2,4-bis(methylsulfanyl)-9H-xanthene

C15H14OS2 — CID 69020074

IUPAC2,4-bis(methylsulfanyl)-9H-xanthene
SMILESCSc1cc2c(c(SC)c1)Oc1ccccc1C2
InChIInChI=1S/C15H14OS2/c1-17-12-8-11-7-10-5-3-4-6-13(10)16-15(11)14(9-12)18-2/h3-6,8-9H,7H2,1-2H3
InChIKeyRSXBBKOSYXJTNG-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.83
Rot. Bonds2

About 2,4-bis(methylsulfanyl)-9H-xanthene

2,4-bis(methylsulfanyl)-9H-xanthene (PubChem CID 69020074) has the molecular formula C15H14OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)-9H-xanthene.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)-9H-xanthene
PubChem CID69020074
Molecular FormulaC15H14OS2
Molecular Weight274.41 g/mol
Exact Mass274.05
IUPAC Name2,4-bis(methylsulfanyl)-9H-xanthene
SMILESCSc1cc2c(c(SC)c1)Oc1ccccc1C2
InChIInChI=1S/C15H14OS2/c1-17-12-8-11-7-10-5-3-4-6-13(10)16-15(11)14(9-12)18-2/h3-6,8-9H,7H2,1-2H3
InChIKeyRSXBBKOSYXJTNG-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfanyl)-9H-xanthene?
The IUPAC name of 2,4-bis(methylsulfanyl)-9H-xanthene (CID 69020074) is 2,4-bis(methylsulfanyl)-9H-xanthene.
What is the SMILES notation for 2,4-bis(methylsulfanyl)-9H-xanthene?
The canonical SMILES for 2,4-bis(methylsulfanyl)-9H-xanthene is CSc1cc2c(c(SC)c1)Oc1ccccc1C2.
What is the InChIKey of 2,4-bis(methylsulfanyl)-9H-xanthene?
The InChIKey is RSXBBKOSYXJTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS2/c1-17-12-8-11-7-10-5-3-4-6-13(10)16-15(11)14(9-12)18-2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)-9H-xanthene?
2,4-bis(methylsulfanyl)-9H-xanthene has a molecular weight of 274.41 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)-9H-xanthene is sourced from PubChem (CID 69020074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).