2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene

C16H18S2 — CID 57200216

IUPAC2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene
SMILESCCc1ccccc1SSc1c(C)cccc1C
InChIInChI=1S/C16H18S2/c1-4-14-10-5-6-11-15(14)17-18-16-12(2)8-7-9-13(16)3/h5-11H,4H2,1-3H3
InChIKeyBMPJAISBCWPPEC-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.67
Rot. Bonds4

About 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene

2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene (PubChem CID 57200216) has the molecular formula C16H18S2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene
PubChem CID57200216
Molecular FormulaC16H18S2
Molecular Weight274.45 g/mol
Exact Mass274.08
IUPAC Name2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene
SMILESCCc1ccccc1SSc1c(C)cccc1C
InChIInChI=1S/C16H18S2/c1-4-14-10-5-6-11-15(14)17-18-16-12(2)8-7-9-13(16)3/h5-11H,4H2,1-3H3
InChIKeyBMPJAISBCWPPEC-UHFFFAOYSA-N
XLogP5.67
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 ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethyl-2-[(2-methylphenyl)disulfanyl]benzene
CID 57202834
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
CID 18000111
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole
CID 90957082
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
1,2-diethylbenzene;hydrobromide
CID 174973685
1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene
CID 23617316
acetic acid;1-ethyl-2-methylbenzene
CID 67948051

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene (CID 57200216) is 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene is CCc1ccccc1SSc1c(C)cccc1C.
What is the InChIKey of 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene?
The InChIKey is BMPJAISBCWPPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S2/c1-4-14-10-5-6-11-15(14)17-18-16-12(2)8-7-9-13(16)3/h5-11H,4H2,1-3H3.
What are the key properties of 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene?
2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene has a molecular weight of 274.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene is sourced from PubChem (CID 57200216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).