1-(4-chlorophenyl)sulfanyl-9H-xanthene

C19H13ClOS — CID 174969588

IUPAC1-(4-chlorophenyl)sulfanyl-9H-xanthene
SMILESClc1ccc(Sc2cccc3c2Cc2ccccc2O3)cc1
InChIInChI=1S/C19H13ClOS/c20-14-8-10-15(11-9-14)22-19-7-3-6-18-16(19)12-13-4-1-2-5-17(13)21-18/h1-11H,12H2
InChIKeyYDJAQOXHRHUMCN-UHFFFAOYSA-N
MW324.83 g/mol
LogP6.19
Rot. Bonds2

About 1-(4-chlorophenyl)sulfanyl-9H-xanthene

1-(4-chlorophenyl)sulfanyl-9H-xanthene (PubChem CID 174969588) has the molecular formula C19H13ClOS and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-9H-xanthene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-9H-xanthene
PubChem CID174969588
Molecular FormulaC19H13ClOS
Molecular Weight324.83 g/mol
Exact Mass324.04
IUPAC Name1-(4-chlorophenyl)sulfanyl-9H-xanthene
SMILESClc1ccc(Sc2cccc3c2Cc2ccccc2O3)cc1
InChIInChI=1S/C19H13ClOS/c20-14-8-10-15(11-9-14)22-19-7-3-6-18-16(19)12-13-4-1-2-5-17(13)21-18/h1-11H,12H2
InChIKeyYDJAQOXHRHUMCN-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.83
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-9H-xanthene?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-9H-xanthene (CID 174969588) is 1-(4-chlorophenyl)sulfanyl-9H-xanthene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-9H-xanthene?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-9H-xanthene is Clc1ccc(Sc2cccc3c2Cc2ccccc2O3)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-9H-xanthene?
The InChIKey is YDJAQOXHRHUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClOS/c20-14-8-10-15(11-9-14)22-19-7-3-6-18-16(19)12-13-4-1-2-5-17(13)21-18/h1-11H,12H2.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-9H-xanthene?
1-(4-chlorophenyl)sulfanyl-9H-xanthene has a molecular weight of 324.83 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-9H-xanthene is sourced from PubChem (CID 174969588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).