2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene

C13H8BrCl2FS — CID 55193000

IUPAC2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene
SMILESFc1ccc(CSc2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C13H8BrCl2FS/c14-10-5-8(1-4-12(10)17)7-18-13-6-9(15)2-3-11(13)16/h1-6H,7H2
InChIKeyOZYNWKUKEQXFBH-UHFFFAOYSA-N
MW366.08 g/mol
LogP6.19
Rot. Bonds3

About 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene

2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene (PubChem CID 55193000) has the molecular formula C13H8BrCl2FS and a molecular weight of 366.08 g/mol. Its IUPAC name is 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene
PubChem CID55193000
Molecular FormulaC13H8BrCl2FS
Molecular Weight366.08 g/mol
Exact Mass363.89
IUPAC Name2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene
SMILESFc1ccc(CSc2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C13H8BrCl2FS/c14-10-5-8(1-4-12(10)17)7-18-13-6-9(15)2-3-11(13)16/h1-6H,7H2
InChIKeyOZYNWKUKEQXFBH-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.08
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methylsulfanyl]-3,5-dichlorobenzene
CID 112736331
2-[4-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 20989536
2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene
CID 54971139
[4-[(3-bromo-4-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384694
3-bromo-2-[(2,5-dichlorophenyl)sulfanylmethyl]aniline
CID 43349828
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
5-[(5-amino-2-chlorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107881834
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
2-bromo-4-[(3,4-dimethylphenyl)sulfanylmethyl]-1-fluorobenzene
CID 55193761
4-[(3,4-dichlorophenyl)methylsulfanyl]-3-fluoroaniline
CID 43303504
[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118876
2-[(2,5-dichlorophenyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 114014497

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene (CID 55193000) is 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene is Fc1ccc(CSc2cc(Cl)ccc2Cl)cc1Br.
What is the InChIKey of 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene?
The InChIKey is OZYNWKUKEQXFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FS/c14-10-5-8(1-4-12(10)17)7-18-13-6-9(15)2-3-11(13)16/h1-6H,7H2.
What are the key properties of 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene?
2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene has a molecular weight of 366.08 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-fluorobenzene is sourced from PubChem (CID 55193000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).