4-chloro-2-fluoro-5-sulfanylphenol

C6H4ClFOS — CID 118316967

IUPAC4-chloro-2-fluoro-5-sulfanylphenol
SMILESOc1cc(S)c(Cl)cc1F
InChIInChI=1S/C6H4ClFOS/c7-3-1-4(8)5(9)2-6(3)10/h1-2,9-10H
InChIKeyAMQAWAWRGKLHRJ-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.47
Rot. Bonds

About 4-chloro-2-fluoro-5-sulfanylphenol

4-chloro-2-fluoro-5-sulfanylphenol (PubChem CID 118316967) has the molecular formula C6H4ClFOS and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-sulfanylphenol.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-sulfanylphenol
PubChem CID118316967
Molecular FormulaC6H4ClFOS
Molecular Weight178.62 g/mol
Exact Mass177.97
IUPAC Name4-chloro-2-fluoro-5-sulfanylphenol
SMILESOc1cc(S)c(Cl)cc1F
InChIInChI=1S/C6H4ClFOS/c7-3-1-4(8)5(9)2-6(3)10/h1-2,9-10H
InChIKeyAMQAWAWRGKLHRJ-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-sulfanylphenol?
The IUPAC name of 4-chloro-2-fluoro-5-sulfanylphenol (CID 118316967) is 4-chloro-2-fluoro-5-sulfanylphenol.
What is the SMILES notation for 4-chloro-2-fluoro-5-sulfanylphenol?
The canonical SMILES for 4-chloro-2-fluoro-5-sulfanylphenol is Oc1cc(S)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-5-sulfanylphenol?
The InChIKey is AMQAWAWRGKLHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFOS/c7-3-1-4(8)5(9)2-6(3)10/h1-2,9-10H.
What are the key properties of 4-chloro-2-fluoro-5-sulfanylphenol?
4-chloro-2-fluoro-5-sulfanylphenol has a molecular weight of 178.62 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-sulfanylphenol is sourced from PubChem (CID 118316967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).