1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene

C20H16F2S2 — CID 102478519

IUPAC1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene
SMILESCc1ccc(Sc2c(F)ccc(F)c2Sc2ccc(C)cc2)cc1
InChIInChI=1S/C20H16F2S2/c1-13-3-7-15(8-4-13)23-19-17(21)11-12-18(22)20(19)24-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyAJEKLRKPJLCLCE-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.88
Rot. Bonds4

About 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene

1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene (PubChem CID 102478519) has the molecular formula C20H16F2S2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene
PubChem CID102478519
Molecular FormulaC20H16F2S2
Molecular Weight358.48 g/mol
Exact Mass358.07
IUPAC Name1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene
SMILESCc1ccc(Sc2c(F)ccc(F)c2Sc2ccc(C)cc2)cc1
InChIInChI=1S/C20H16F2S2/c1-13-3-7-15(8-4-13)23-19-17(21)11-12-18(22)20(19)24-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyAJEKLRKPJLCLCE-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine
CID 114070263
3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)sulfanylcyclobut-3-ene-1,2-dione
CID 118406601
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
2-fluoro-4-(4-methylphenyl)sulfanylphenol
CID 23543387
1,3-dichloro-2-(4-chlorophenyl)sulfanyl-5-methylbenzene
CID 20641469
5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine
CID 79733940
3,5-dichloro-4-(4-methylphenyl)sulfanylaniline
CID 70590828
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-methylphenyl)aniline
CID 18996742
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene?
The IUPAC name of 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene (CID 102478519) is 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene.
What is the SMILES notation for 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene?
The canonical SMILES for 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene is Cc1ccc(Sc2c(F)ccc(F)c2Sc2ccc(C)cc2)cc1.
What is the InChIKey of 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene?
The InChIKey is AJEKLRKPJLCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2S2/c1-13-3-7-15(8-4-13)23-19-17(21)11-12-18(22)20(19)24-16-9-5-14(2)6-10-16/h3-12H,1-2H3.
What are the key properties of 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene?
1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene has a molecular weight of 358.48 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene is sourced from PubChem (CID 102478519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).