1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene

C16H18OS2 — CID 18000111

IUPAC1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
SMILESCCc1ccccc1SOSc1ccccc1CC
InChIInChI=1S/C16H18OS2/c1-3-13-9-5-7-11-15(13)18-17-19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3
InChIKeyWEVREDZCXUYNIQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.54
Rot. Bonds6

About 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene

1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene (PubChem CID 18000111) has the molecular formula C16H18OS2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene.

Molecular Properties

Compound Name1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
PubChem CID18000111
Molecular FormulaC16H18OS2
Molecular Weight290.45 g/mol
Exact Mass290.08
IUPAC Name1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
SMILESCCc1ccccc1SOSc1ccccc1CC
InChIInChI=1S/C16H18OS2/c1-3-13-9-5-7-11-15(13)18-17-19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3
InChIKeyWEVREDZCXUYNIQ-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
1,2-diethylbenzene;silyloxysilane
CID 158803052
2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane
CID 19834367
1,2-diethylbenzene;hydrobromide
CID 174973685
1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene
CID 23617316
(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 87853976
ethyl 2-(2-ethylphenyl)sulfanylacetate
CID 86276480
ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate
CID 97354746
2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene
CID 57200216
benzene;2-ethylphenol
CID 159726745
S-(2-ethylphenyl) prop-2-enethioate
CID 175247853
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
CID 143619188

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene?
The IUPAC name of 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene (CID 18000111) is 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene.
What is the SMILES notation for 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene?
The canonical SMILES for 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene is CCc1ccccc1SOSc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene?
The InChIKey is WEVREDZCXUYNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS2/c1-3-13-9-5-7-11-15(13)18-17-19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene?
1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene has a molecular weight of 290.45 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene is sourced from PubChem (CID 18000111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).