2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane

C16H12ClFS3 — CID 14329286

IUPAC2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane
SMILESFc1ccc(C(=C2SCSCS2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClFS3/c17-13-5-1-11(2-6-13)15(16-20-9-19-10-21-16)12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKeyFKBWWXOGTSWAEY-UHFFFAOYSA-N
MW354.92 g/mol
LogP6.32
Rot. Bonds2

About 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane

2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane (PubChem CID 14329286) has the molecular formula C16H12ClFS3 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane
PubChem CID14329286
Molecular FormulaC16H12ClFS3
Molecular Weight354.92 g/mol
Exact Mass353.98
IUPAC Name2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane
SMILESFc1ccc(C(=C2SCSCS2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClFS3/c17-13-5-1-11(2-6-13)15(16-20-9-19-10-21-16)12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKeyFKBWWXOGTSWAEY-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.92
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
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CID 11715966
1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
CID 101072284
1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
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CID 86183001
2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 82104492
(E)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(oxiran-2-yl)but-3-en-2-one
CID 135254686
[(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate
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1-chloro-4-fluorobenzene;isocyanic acid
CID 88592426
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
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CID 135240876

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane?
The IUPAC name of 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane (CID 14329286) is 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane.
What is the SMILES notation for 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane?
The canonical SMILES for 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane is Fc1ccc(C(=C2SCSCS2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane?
The InChIKey is FKBWWXOGTSWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFS3/c17-13-5-1-11(2-6-13)15(16-20-9-19-10-21-16)12-3-7-14(18)8-4-12/h1-8H,9-10H2.
What are the key properties of 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane?
2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane has a molecular weight of 354.92 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-(4-fluorophenyl)methylidene]-1,3,5-trithiane is sourced from PubChem (CID 14329286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).