2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene

C14H12F2S3 — CID 139623503

IUPAC2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene
SMILESCSc1ccc(Sc2ccc(SC)c(F)c2)cc1F
InChIInChI=1S/C14H12F2S3/c1-17-13-5-3-9(7-11(13)15)19-10-4-6-14(18-2)12(16)8-10/h3-8H,1-2H3
InChIKeyHCCBNYKZSANFCK-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.56
Rot. Bonds4

About 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene

2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene (PubChem CID 139623503) has the molecular formula C14H12F2S3 and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene
PubChem CID139623503
Molecular FormulaC14H12F2S3
Molecular Weight314.45 g/mol
Exact Mass314.01
IUPAC Name2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene
SMILESCSc1ccc(Sc2ccc(SC)c(F)c2)cc1F
InChIInChI=1S/C14H12F2S3/c1-17-13-5-3-9(7-11(13)15)19-10-4-6-14(18-2)12(16)8-10/h3-8H,1-2H3
InChIKeyHCCBNYKZSANFCK-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
CID 139623422
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
3-(3-fluoro-4-methylsulfanylphenyl)propanenitrile
CID 84773588
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
2-fluoro-4-(4-methylphenyl)sulfanylphenol
CID 23543387
4-(3,4-dimethylphenyl)sulfanyl-3-fluoroaniline
CID 28972791
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492
4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
CID 106748746
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
CID 158374715
1,4,5,8-tetrakis(methylsulfanyl)anthracene
CID 12637826
2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene
CID 67531286
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene (CID 139623503) is 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene is CSc1ccc(Sc2ccc(SC)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene?
The InChIKey is HCCBNYKZSANFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2S3/c1-17-13-5-3-9(7-11(13)15)19-10-4-6-14(18-2)12(16)8-10/h3-8H,1-2H3.
What are the key properties of 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene?
2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene has a molecular weight of 314.45 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene is sourced from PubChem (CID 139623503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).