3-(2-chloro-3-fluorophenyl)sulfanylphenol

C12H8ClFOS — CID 142774775

IUPAC3-(2-chloro-3-fluorophenyl)sulfanylphenol
SMILESOc1cccc(Sc2cccc(F)c2Cl)c1
InChIInChI=1S/C12H8ClFOS/c13-12-10(14)5-2-6-11(12)16-9-4-1-3-8(15)7-9/h1-7,15H
InChIKeyNWRVMVUOKSXEND-UHFFFAOYSA-N
MW254.71 g/mol
LogP4.34
Rot. Bonds2

About 3-(2-chloro-3-fluorophenyl)sulfanylphenol

3-(2-chloro-3-fluorophenyl)sulfanylphenol (PubChem CID 142774775) has the molecular formula C12H8ClFOS and a molecular weight of 254.71 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)sulfanylphenol.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)sulfanylphenol
PubChem CID142774775
Molecular FormulaC12H8ClFOS
Molecular Weight254.71 g/mol
Exact Mass254.00
IUPAC Name3-(2-chloro-3-fluorophenyl)sulfanylphenol
SMILESOc1cccc(Sc2cccc(F)c2Cl)c1
InChIInChI=1S/C12H8ClFOS/c13-12-10(14)5-2-6-11(12)16-9-4-1-3-8(15)7-9/h1-7,15H
InChIKeyNWRVMVUOKSXEND-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)sulfanylphenol?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)sulfanylphenol (CID 142774775) is 3-(2-chloro-3-fluorophenyl)sulfanylphenol.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)sulfanylphenol?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)sulfanylphenol is Oc1cccc(Sc2cccc(F)c2Cl)c1.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)sulfanylphenol?
The InChIKey is NWRVMVUOKSXEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFOS/c13-12-10(14)5-2-6-11(12)16-9-4-1-3-8(15)7-9/h1-7,15H.
What are the key properties of 3-(2-chloro-3-fluorophenyl)sulfanylphenol?
3-(2-chloro-3-fluorophenyl)sulfanylphenol has a molecular weight of 254.71 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)sulfanylphenol is sourced from PubChem (CID 142774775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).