2-chloro-8-methylsulfanyldibenzofuran

C13H9ClOS — CID 71336672

IUPAC2-chloro-8-methylsulfanyldibenzofuran
SMILESCSc1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C13H9ClOS/c1-16-9-3-5-13-11(7-9)10-6-8(14)2-4-12(10)15-13/h2-7H,1H3
InChIKeyJEGVZZILKQVMMY-UHFFFAOYSA-N
MW248.73 g/mol
LogP4.96
Rot. Bonds1

About 2-chloro-8-methylsulfanyldibenzofuran

2-chloro-8-methylsulfanyldibenzofuran (PubChem CID 71336672) has the molecular formula C13H9ClOS and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-chloro-8-methylsulfanyldibenzofuran.

Molecular Properties

Compound Name2-chloro-8-methylsulfanyldibenzofuran
PubChem CID71336672
Molecular FormulaC13H9ClOS
Molecular Weight248.73 g/mol
Exact Mass248.01
IUPAC Name2-chloro-8-methylsulfanyldibenzofuran
SMILESCSc1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C13H9ClOS/c1-16-9-3-5-13-11(7-9)10-6-8(14)2-4-12(10)15-13/h2-7H,1H3
InChIKeyJEGVZZILKQVMMY-UHFFFAOYSA-N
XLogP4.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methylsulfanyldibenzofuran?
The IUPAC name of 2-chloro-8-methylsulfanyldibenzofuran (CID 71336672) is 2-chloro-8-methylsulfanyldibenzofuran.
What is the SMILES notation for 2-chloro-8-methylsulfanyldibenzofuran?
The canonical SMILES for 2-chloro-8-methylsulfanyldibenzofuran is CSc1ccc2oc3ccc(Cl)cc3c2c1.
What is the InChIKey of 2-chloro-8-methylsulfanyldibenzofuran?
The InChIKey is JEGVZZILKQVMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClOS/c1-16-9-3-5-13-11(7-9)10-6-8(14)2-4-12(10)15-13/h2-7H,1H3.
What are the key properties of 2-chloro-8-methylsulfanyldibenzofuran?
2-chloro-8-methylsulfanyldibenzofuran has a molecular weight of 248.73 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methylsulfanyldibenzofuran is sourced from PubChem (CID 71336672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).