(2-chloro-4-fluorophenyl) thiohypochlorite

C6H3Cl2FS — CID 86633008

IUPAC(2-chloro-4-fluorophenyl) thiohypochlorite
SMILESFc1ccc(SCl)c(Cl)c1
InChIInChI=1S/C6H3Cl2FS/c7-5-3-4(9)1-2-6(5)10-8/h1-3H
InChIKeyFRLWJSKUFLSBAU-UHFFFAOYSA-N
MW197.06 g/mol
LogP3.72
Rot. Bonds1

About (2-chloro-4-fluorophenyl) thiohypochlorite

(2-chloro-4-fluorophenyl) thiohypochlorite (PubChem CID 86633008) has the molecular formula C6H3Cl2FS and a molecular weight of 197.06 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl) thiohypochlorite
PubChem CID86633008
Molecular FormulaC6H3Cl2FS
Molecular Weight197.06 g/mol
Exact Mass195.93
IUPAC Name(2-chloro-4-fluorophenyl) thiohypochlorite
SMILESFc1ccc(SCl)c(Cl)c1
InChIInChI=1S/C6H3Cl2FS/c7-5-3-4(9)1-2-6(5)10-8/h1-3H
InChIKeyFRLWJSKUFLSBAU-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
2-(2-chloro-4-fluorophenyl)triazole
CID 72711579
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone
CID 142346682
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
2-chloro-1-ethynyl-4-fluorobenzene
CID 14747550
2-chloro-4-fluoro-N-methylaniline
CID 21161232
(E)-3-(2-chloro-4-fluorophenyl)sulfanyl-1-(4-methylphenyl)prop-2-en-1-one
CID 6162153
2-chloro-4-fluoro-N-methylsulfanylaniline;ethane
CID 145359460
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl) thiohypochlorite?
The IUPAC name of (2-chloro-4-fluorophenyl) thiohypochlorite (CID 86633008) is (2-chloro-4-fluorophenyl) thiohypochlorite.
What is the SMILES notation for (2-chloro-4-fluorophenyl) thiohypochlorite?
The canonical SMILES for (2-chloro-4-fluorophenyl) thiohypochlorite is Fc1ccc(SCl)c(Cl)c1.
What is the InChIKey of (2-chloro-4-fluorophenyl) thiohypochlorite?
The InChIKey is FRLWJSKUFLSBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FS/c7-5-3-4(9)1-2-6(5)10-8/h1-3H.
What are the key properties of (2-chloro-4-fluorophenyl) thiohypochlorite?
(2-chloro-4-fluorophenyl) thiohypochlorite has a molecular weight of 197.06 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl) thiohypochlorite is sourced from PubChem (CID 86633008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).