4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene

C16H18S2 — CID 173185086

IUPAC4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene
SMILESCCSc1ccccc1-c1ccc(SC)c(C)c1
InChIInChI=1S/C16H18S2/c1-4-18-16-8-6-5-7-14(16)13-9-10-15(17-3)12(2)11-13/h5-11H,4H2,1-3H3
InChIKeyXUFLNYXUXDIRDL-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.50
Rot. Bonds4

About 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene

4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene (PubChem CID 173185086) has the molecular formula C16H18S2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene.

Molecular Properties

Compound Name4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene
PubChem CID173185086
Molecular FormulaC16H18S2
Molecular Weight274.45 g/mol
Exact Mass274.08
IUPAC Name4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene
SMILESCCSc1ccccc1-c1ccc(SC)c(C)c1
InChIInChI=1S/C16H18S2/c1-4-18-16-8-6-5-7-14(16)13-9-10-15(17-3)12(2)11-13/h5-11H,4H2,1-3H3
InChIKeyXUFLNYXUXDIRDL-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-(2-ethylsulfanylphenyl)benzene
CID 67283557
ethane;4-(2-ethylsulfanylphenyl)aniline
CID 142086543
2-ethylsulfanyl-5-phenylaniline
CID 68787727
2-fluoro-5-(2-methylsulfanylphenyl)aniline
CID 171456179
1-ethylsulfanyl-2-fluoro-3-methylbenzene
CID 91876383
1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene
CID 71281372
2-[3-(2-ethylsulfanylphenyl)-4-fluorophenyl]-1-methylimidazole
CID 67981194
3-(2-methylsulfanylphenyl)aniline
CID 68788837
3-methyl-4-methylsulfanyl-N,N-diphenylaniline
CID 91304836
1,4-diamino-2-ethylsulfanylanthracene-9,10-dione
CID 20695767
2-[3-(2-methylsulfanylphenyl)phenyl]ethanol
CID 143123494
4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene?
The IUPAC name of 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene (CID 173185086) is 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene.
What is the SMILES notation for 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene?
The canonical SMILES for 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene is CCSc1ccccc1-c1ccc(SC)c(C)c1.
What is the InChIKey of 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene?
The InChIKey is XUFLNYXUXDIRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S2/c1-4-18-16-8-6-5-7-14(16)13-9-10-15(17-3)12(2)11-13/h5-11H,4H2,1-3H3.
What are the key properties of 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene?
4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene has a molecular weight of 274.45 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene is sourced from PubChem (CID 173185086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).