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

C19H13ClOS — CID 44884456

IUPAC9-(4-chlorophenyl)sulfanyl-9H-xanthene
SMILESClc1ccc(SC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H13ClOS/c20-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,19H
InChIKeyKMWQHTUIOFZRGW-UHFFFAOYSA-N
MW324.83 g/mol
LogP6.33
Rot. Bonds2

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

9-(4-chlorophenyl)sulfanyl-9H-xanthene (PubChem CID 44884456) has the molecular formula C19H13ClOS and a molecular weight of 324.83 g/mol. Its IUPAC name is 9-(4-chlorophenyl)sulfanyl-9H-xanthene.

Molecular Properties

Compound Name9-(4-chlorophenyl)sulfanyl-9H-xanthene
PubChem CID44884456
Molecular FormulaC19H13ClOS
Molecular Weight324.83 g/mol
Exact Mass324.04
IUPAC Name9-(4-chlorophenyl)sulfanyl-9H-xanthene
SMILESClc1ccc(SC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H13ClOS/c20-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,19H
InChIKeyKMWQHTUIOFZRGW-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)sulfanyl-9H-xanthene?
The IUPAC name of 9-(4-chlorophenyl)sulfanyl-9H-xanthene (CID 44884456) is 9-(4-chlorophenyl)sulfanyl-9H-xanthene.
What is the SMILES notation for 9-(4-chlorophenyl)sulfanyl-9H-xanthene?
The canonical SMILES for 9-(4-chlorophenyl)sulfanyl-9H-xanthene is Clc1ccc(SC2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-(4-chlorophenyl)sulfanyl-9H-xanthene?
The InChIKey is KMWQHTUIOFZRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClOS/c20-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,19H.
What are the key properties of 9-(4-chlorophenyl)sulfanyl-9H-xanthene?
9-(4-chlorophenyl)sulfanyl-9H-xanthene has a molecular weight of 324.83 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)sulfanyl-9H-xanthene is sourced from PubChem (CID 44884456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).