2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene

C13H9Cl2FS — CID 91657109

IUPAC2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene
SMILESFc1ccc(CSc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C13H9Cl2FS/c14-10-2-4-11(5-3-10)17-8-9-1-6-13(16)12(15)7-9/h1-7H,8H2
InChIKeyZCIYMVKBQQJKHT-UHFFFAOYSA-N
MW287.19 g/mol
LogP5.42
Rot. Bonds3

About 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene

2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene (PubChem CID 91657109) has the molecular formula C13H9Cl2FS and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene
PubChem CID91657109
Molecular FormulaC13H9Cl2FS
Molecular Weight287.19 g/mol
Exact Mass285.98
IUPAC Name2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene
SMILESFc1ccc(CSc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C13H9Cl2FS/c14-10-2-4-11(5-3-10)17-8-9-1-6-13(16)12(15)7-9/h1-7H,8H2
InChIKeyZCIYMVKBQQJKHT-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.19
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
methyl 4-[(4-chlorophenyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698550
1-bromo-3-[(4-chlorophenyl)sulfanylmethyl]benzene
CID 60625566
1-chloro-3-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91655656
1-chloro-2-fluoro-4-[(4-fluorophenyl)methylsulfanyl]benzene
CID 91656594
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
methyl 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]benzoate
CID 43236065
1-[(3-bromo-4-fluorophenyl)methylsulfanyl]-3,5-dichlorobenzene
CID 112736331
3-[(3-chloro-4-fluorophenyl)methylsulfanyl]-2-methylaniline
CID 103038237
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
2-chloro-4-ethylsulfanyl-1-fluorobenzene
CID 55220710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene?
The IUPAC name of 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene (CID 91657109) is 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene is Fc1ccc(CSc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene?
The InChIKey is ZCIYMVKBQQJKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FS/c14-10-2-4-11(5-3-10)17-8-9-1-6-13(16)12(15)7-9/h1-7H,8H2.
What are the key properties of 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene?
2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene has a molecular weight of 287.19 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene is sourced from PubChem (CID 91657109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).