2-chloro-9H-thioxanthene 10,10-dioxide

C13H9ClO2S — CID 10611698

IUPAC2-chloro-9H-thioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Cc2cc(Cl)ccc21
InChIInChI=1S/C13H9ClO2S/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)17(13,15)16/h1-6,8H,7H2
InChIKeyKSFOXAKLLSKHNR-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.08
Rot. Bonds

About 2-chloro-9H-thioxanthene 10,10-dioxide

2-chloro-9H-thioxanthene 10,10-dioxide (PubChem CID 10611698) has the molecular formula C13H9ClO2S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-9H-thioxanthene 10,10-dioxide.

Molecular Properties

Compound Name2-chloro-9H-thioxanthene 10,10-dioxide
PubChem CID10611698
Molecular FormulaC13H9ClO2S
Molecular Weight264.73 g/mol
Exact Mass264.00
IUPAC Name2-chloro-9H-thioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Cc2cc(Cl)ccc21
InChIInChI=1S/C13H9ClO2S/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)17(13,15)16/h1-6,8H,7H2
InChIKeyKSFOXAKLLSKHNR-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9H-thioxanthene 10,10-dioxide?
The IUPAC name of 2-chloro-9H-thioxanthene 10,10-dioxide (CID 10611698) is 2-chloro-9H-thioxanthene 10,10-dioxide.
What is the SMILES notation for 2-chloro-9H-thioxanthene 10,10-dioxide?
The canonical SMILES for 2-chloro-9H-thioxanthene 10,10-dioxide is O=S1(=O)c2ccccc2Cc2cc(Cl)ccc21.
What is the InChIKey of 2-chloro-9H-thioxanthene 10,10-dioxide?
The InChIKey is KSFOXAKLLSKHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2S/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)17(13,15)16/h1-6,8H,7H2.
What are the key properties of 2-chloro-9H-thioxanthene 10,10-dioxide?
2-chloro-9H-thioxanthene 10,10-dioxide has a molecular weight of 264.73 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9H-thioxanthene 10,10-dioxide is sourced from PubChem (CID 10611698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).