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

C14H12F2S3 — CID 139623422

IUPAC2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
SMILESCSc1ccc(Sc2ccc(SC)cc2F)c(F)c1
InChIInChI=1S/C14H12F2S3/c1-17-9-3-5-13(11(15)7-9)19-14-6-4-10(18-2)8-12(14)16/h3-8H,1-2H3
InChIKeyOJNYCFCVTAMMRQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.56
Rot. Bonds4

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

2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene (PubChem CID 139623422) has the molecular formula C14H12F2S3 and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
PubChem CID139623422
Molecular FormulaC14H12F2S3
Molecular Weight314.45 g/mol
Exact Mass314.01
IUPAC Name2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
SMILESCSc1ccc(Sc2ccc(SC)cc2F)c(F)c1
InChIInChI=1S/C14H12F2S3/c1-17-9-3-5-13(11(15)7-9)19-14-6-4-10(18-2)8-12(14)16/h3-8H,1-2H3
InChIKeyOJNYCFCVTAMMRQ-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

Analyze 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene
CID 139623503
2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline
CID 14615422
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492
1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene
CID 164811423
2-bromo-1-fluoro-4-methylsulfanylbenzene
CID 83409864
4-bromo-1-(4-ethylphenyl)sulfanyl-2-fluorobenzene
CID 91877705
CID 158646339
CID 158646339
2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
CID 22031808
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
2-fluoro-4-methylsulfanylbenzenesulfonyl chloride
CID 84702221
1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 123833545
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene (CID 139623422) is 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene is CSc1ccc(Sc2ccc(SC)cc2F)c(F)c1.
What is the InChIKey of 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene?
The InChIKey is OJNYCFCVTAMMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2S3/c1-17-9-3-5-13(11(15)7-9)19-14-6-4-10(18-2)8-12(14)16/h3-8H,1-2H3.
What are the key properties of 2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene?
2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-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-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene is sourced from PubChem (CID 139623422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).