(3-chloro-4-fluorophenyl) thiohypochlorite

C6H3Cl2FS — CID 86633009

IUPAC(3-chloro-4-fluorophenyl) thiohypochlorite
SMILESFc1ccc(SCl)cc1Cl
InChIInChI=1S/C6H3Cl2FS/c7-5-3-4(10-8)1-2-6(5)9/h1-3H
InChIKeyWOOBXWPVGBXOKW-UHFFFAOYSA-N
MW197.06 g/mol
LogP3.72
Rot. Bonds1

About (3-chloro-4-fluorophenyl) thiohypochlorite

(3-chloro-4-fluorophenyl) thiohypochlorite (PubChem CID 86633009) has the molecular formula C6H3Cl2FS and a molecular weight of 197.06 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl) thiohypochlorite.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl) thiohypochlorite
PubChem CID86633009
Molecular FormulaC6H3Cl2FS
Molecular Weight197.06 g/mol
Exact Mass195.93
IUPAC Name(3-chloro-4-fluorophenyl) thiohypochlorite
SMILESFc1ccc(SCl)cc1Cl
InChIInChI=1S/C6H3Cl2FS/c7-5-3-4(10-8)1-2-6(5)9/h1-3H
InChIKeyWOOBXWPVGBXOKW-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

p-Chlorothiophenol
CID 7815
o-Chlorothiophenol
CID 80599
3-Chlorothiophenol
CID 16257
2,5-Dichlorobenzenethiol
CID 79965
3-Chloro-4-fluorobenzenesulphonyl chloride
CID 145222
3,5-Dichlorobenzenethiol
CID 2736096
5-Chloro-2,4-difluorobenzenesulphonyl chloride
CID 2773527
2-Chloro-4-fluorothiophenol
CID 519446
3-Chloro-4-fluorobenzene-1-thiol
CID 2734197
o-Chlorobenzenesulfenyl chloride
CID 12963240
1-Chloro-3-(trichloromethylsulfanyl)benzene
CID 248632
5-Chloro-2-fluorobenzenesulfonyl chloride
CID 2778273

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl) thiohypochlorite?
The IUPAC name of (3-chloro-4-fluorophenyl) thiohypochlorite (CID 86633009) is (3-chloro-4-fluorophenyl) thiohypochlorite.
What is the SMILES notation for (3-chloro-4-fluorophenyl) thiohypochlorite?
The canonical SMILES for (3-chloro-4-fluorophenyl) thiohypochlorite is Fc1ccc(SCl)cc1Cl.
What is the InChIKey of (3-chloro-4-fluorophenyl) thiohypochlorite?
The InChIKey is WOOBXWPVGBXOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FS/c7-5-3-4(10-8)1-2-6(5)9/h1-3H.
What are the key properties of (3-chloro-4-fluorophenyl) thiohypochlorite?
(3-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 (3-chloro-4-fluorophenyl) thiohypochlorite is sourced from PubChem (CID 86633009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).