2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol

C12H7BrClFS — CID 163240683

IUPAC2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol
SMILESFc1cccc(Br)c1-c1ccc(Cl)cc1S
InChIInChI=1S/C12H7BrClFS/c13-9-2-1-3-10(15)12(9)8-5-4-7(14)6-11(8)16/h1-6,16H
InChIKeySQDVAIQVWAYZCC-UHFFFAOYSA-N
MW317.61 g/mol
LogP5.20
Rot. Bonds1

About 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol

2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol (PubChem CID 163240683) has the molecular formula C12H7BrClFS and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol
PubChem CID163240683
Molecular FormulaC12H7BrClFS
Molecular Weight317.61 g/mol
Exact Mass315.91
IUPAC Name2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol
SMILESFc1cccc(Br)c1-c1ccc(Cl)cc1S
InChIInChI=1S/C12H7BrClFS/c13-9-2-1-3-10(15)12(9)8-5-4-7(14)6-11(8)16/h1-6,16H
InChIKeySQDVAIQVWAYZCC-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.61
LogP ≤ 55.20
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

1-bromo-2-(4-chloro-2-methylsulfanylphenyl)-3-fluorobenzene
CID 163240684
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
CID 146407762
2-(2-bromo-6-fluorophenyl)-5-methylphenol
CID 145447220
1-bromo-7-chlorofluoren-9-one
CID 132938805
3-(2-bromo-6-fluorophenyl)-2-methylpyridine
CID 125456196
2,4-dichlorobenzenethiol;2,6-difluorobenzenethiol
CID 159710411
4-chloro-2-(2,6-difluorophenyl)pyridine
CID 102825119
1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene
CID 118507663
2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid
CID 114269074
5-bromo-3-chloro-9,9-dimethylfluorene
CID 175668699
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol (CID 163240683) is 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol is Fc1cccc(Br)c1-c1ccc(Cl)cc1S.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol?
The InChIKey is SQDVAIQVWAYZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFS/c13-9-2-1-3-10(15)12(9)8-5-4-7(14)6-11(8)16/h1-6,16H.
What are the key properties of 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol?
2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol has a molecular weight of 317.61 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol is sourced from PubChem (CID 163240683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).