1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene

C16H18S2 — CID 6452015

IUPAC1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene
SMILESCCc1ccccc1SSc1ccccc1CC
InChIInChI=1S/C16H18S2/c1-3-13-9-5-7-11-15(13)17-18-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3
InChIKeyRPTQMFYXBSBPNM-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.61
Rot. Bonds5

About 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene

1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene (PubChem CID 6452015) has the molecular formula C16H18S2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene
PubChem CID6452015
Molecular FormulaC16H18S2
Molecular Weight274.45 g/mol
Exact Mass274.08
IUPAC Name1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene
SMILESCCc1ccccc1SSc1ccccc1CC
InChIInChI=1S/C16H18S2/c1-3-13-9-5-7-11-15(13)17-18-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3
InChIKeyRPTQMFYXBSBPNM-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene?
The IUPAC name of 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene (CID 6452015) is 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene.
What is the SMILES notation for 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene?
The canonical SMILES for 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene is CCc1ccccc1SSc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene?
The InChIKey is RPTQMFYXBSBPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S2/c1-3-13-9-5-7-11-15(13)17-18-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene?
1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene has a molecular weight of 274.45 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-ethylphenyl)disulfanyl]benzene is sourced from PubChem (CID 6452015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).