2,6-dichloro-4-fluorobenzenethiol

C6H3Cl2FS — CID 50998605

IUPAC2,6-dichloro-4-fluorobenzenethiol
SMILESFc1cc(Cl)c(S)c(Cl)c1
InChIInChI=1S/C6H3Cl2FS/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKeyVFFGBIGCMPVQMT-UHFFFAOYSA-N
MW197.06 g/mol
LogP3.42
Rot. Bonds

About 2,6-dichloro-4-fluorobenzenethiol

2,6-dichloro-4-fluorobenzenethiol (PubChem CID 50998605) has the molecular formula C6H3Cl2FS and a molecular weight of 197.06 g/mol. Its IUPAC name is 2,6-dichloro-4-fluorobenzenethiol.

Molecular Properties

Compound Name2,6-dichloro-4-fluorobenzenethiol
PubChem CID50998605
Molecular FormulaC6H3Cl2FS
Molecular Weight197.06 g/mol
Exact Mass195.93
IUPAC Name2,6-dichloro-4-fluorobenzenethiol
SMILESFc1cc(Cl)c(S)c(Cl)c1
InChIInChI=1S/C6H3Cl2FS/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKeyVFFGBIGCMPVQMT-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-5-fluorobenzenethiol
CID 91874134
3-chloro-5-fluoro-2-methylbenzenethiol
CID 130912771
2,4,6-trifluorobenzenethiol;tetrahydrofluoride
CID 173125466
2,4,6-trifluorobenzenethiol;pentahydrofluoride
CID 173024841
3-chloro-2,5-difluorophenol
CID 84651989
3,5-dichloro-4-sulfanylbenzonitrile
CID 177238776
2,3-dichloro-5-fluorobenzoic acid
CID 19013031
2,4,5,7-tetrachloronaphthalene-1,8-dithiol
CID 102579007
1-chloro-3,5-difluorobenzene
CID 159732874
N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033961
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
2-amino-6-chloro-4-fluorophenol
CID 11275173

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluorobenzenethiol?
The IUPAC name of 2,6-dichloro-4-fluorobenzenethiol (CID 50998605) is 2,6-dichloro-4-fluorobenzenethiol.
What is the SMILES notation for 2,6-dichloro-4-fluorobenzenethiol?
The canonical SMILES for 2,6-dichloro-4-fluorobenzenethiol is Fc1cc(Cl)c(S)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluorobenzenethiol?
The InChIKey is VFFGBIGCMPVQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FS/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H.
What are the key properties of 2,6-dichloro-4-fluorobenzenethiol?
2,6-dichloro-4-fluorobenzenethiol has a molecular weight of 197.06 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluorobenzenethiol is sourced from PubChem (CID 50998605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).