2-(2-chlorophenyl)sulfanylphenol

C12H9ClOS — CID 20513469

IUPAC2-(2-chlorophenyl)sulfanylphenol
SMILESOc1ccccc1Sc1ccccc1Cl
InChIInChI=1S/C12H9ClOS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,14H
InChIKeyYPSYSYNPOQFCDG-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.20
Rot. Bonds2

About 2-(2-chlorophenyl)sulfanylphenol

2-(2-chlorophenyl)sulfanylphenol (PubChem CID 20513469) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanylphenol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanylphenol
PubChem CID20513469
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name2-(2-chlorophenyl)sulfanylphenol
SMILESOc1ccccc1Sc1ccccc1Cl
InChIInChI=1S/C12H9ClOS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,14H
InChIKeyYPSYSYNPOQFCDG-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanylphenol?
The IUPAC name of 2-(2-chlorophenyl)sulfanylphenol (CID 20513469) is 2-(2-chlorophenyl)sulfanylphenol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanylphenol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanylphenol is Oc1ccccc1Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanylphenol?
The InChIKey is YPSYSYNPOQFCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,14H.
What are the key properties of 2-(2-chlorophenyl)sulfanylphenol?
2-(2-chlorophenyl)sulfanylphenol has a molecular weight of 236.72 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanylphenol is sourced from PubChem (CID 20513469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).